372 results about "Powder diffraction" patented technology

The invention relates to the technical field of medicine, in particular to a crystal form of (S)-2-(1-acetoxy n-amyl) benzoic acid L-arginine salt and a preparation method and application thereof.The crystal form is radiated through Cu-K alpha, an X-ray powder diffraction pattern expressed by the diffraction angle 2 theta is obtained, the diffraction angle 2 theta has characteristic peaks at the positions of 5.10, 10.23, 14.13, 17.58, 19.81, 20.63 and 21.73, and the crystal form is shown in the description. And the error range of each characteristic peak 2 theta is + / -0.2. The technical scheme provided by the invention has the following advantages: research shows that the I crystal form of the compound as shown in the formula I prepared by the invention is good in stability and relatively high in purity, and a single crystal of the I crystal form is obtained; the crystal form I of the compound shown in the formula I can meet the medicinal requirements of production, transportation and storage, the production process is stable, repeatable and controllable, and the crystal form I can be suitable for industrial production.

The invention provides a novel crystal form and a novel crystal form APTI-I. The novel crystal form and the novel crystal form APTI-I are radiated by Cu-K alpha, and an X-ray powder diffraction pattern represented by a 2 theta angle has characteristic peaks at 5.0 degrees + / -0.2 degrees, 6.3 degrees + / -0.2 degrees, 7.8 degrees + / -0.2 degrees, 12.2 degrees + / -0.2 degrees and 20.0 degrees + / -0.2 degrees. The crystal form is easy to prepare, high in purity, good in stability, good in solubility in buffer solutions and deionized water solvents with different pH values, and suitable for industrial large-scale production and preparation of pharmaceutical preparations.

The invention relates to the technical field of semiconductor energy material detection, and discloses a table type X-ray spectrometer multifunctional combined integrated in-situ experiment device, which comprises an X-ray source, a light source, an X-ray detector, an X-ray detector, an X-ray detector, an X-ray detector, an X-ray detector and an X-ray detector, the sample table is used for adjusting the position of the sample in the light path; the flight pipeline is used for transmitting X-rays and signals; the detector is used for collecting electronic signals. By adopting the unique design of the X-ray monochromator and the focusing mirror, the measurement and analysis of an X-ray absorption fine structure and a crystal structure can be realized in a conventional laboratory environment without using a synchrotron radiation light source, and X-ray diffraction, scattering and absorption spectrograms comparable to a synchrotron radiation level are obtained with extremely high sensitivity and light source quality; qualitative and quantitative analysis, crystalline state and valence state analysis and long-range structure and short-range coordination structure analysis of elements are achieved, and grazing incidence X-ray diffraction, powder diffraction and XAS research can be conducted in real time.

The present invention relates to a co-crystal of Ketoprofen Lysine named Form 1, characterized by its X-ray powder diffraction diagram, a pharmaceutical composition comprising the co-crystal of Ketoprofen Lysine, a process for the production of the co-crystal of Ketoprofen Lysine, and the use of the co-crystal of Ketoprofen Lysine in the treatment of pain and inflammatory diseases.

The invention discloses a preparation process of a Baloxavir marboxil and vitamin C eutectic crystal form. The X-ray powder diffraction pattern of the Baloxavir marboxil and vitamin C eutectic crystal form under Cu-Ka radiation has diffraction angle 2theta values of 8.7 + / -0.2 degrees, 10.4 + / -0.2 degrees, 10.7 + / -0.2 degrees, 13.1 + / -0.2 degrees, 13.8 + / -0.2 degrees, 14.2 + / -0.2 degrees, 15.7 + / -0.2 degrees, 16.1 + / -0.2 degrees, 16.3 + / -0.2 degrees, 17.4 + / -0.2 degrees, 18.5 + / -0.2 degrees, 19.8 + / -0.2 degrees, 19.8 + / -0.2 degrees, 20.1 + / -0.2 degrees, 20.8 + / -0.2 degrees, 20.9 + / -0.2 degrees, 21.6 + / and characteristic peaks exist at the positions of 25.6 + / -0.2 degrees, 26.4 + / -0.2 degrees, 26.7 + / -0.2 degrees, 27.1 + / -0.2 degrees, 28.0 + / -0.2 degrees, 28.2 + / -0.2 degrees, 29.7 + / -0.2 degrees, 29.9 + / -0.2 degrees and 31.3 + / -0.2 degrees. The eutectic crystal form of Baloxavir marboxil and vitamin C provided by the invention has stable physicochemical properties, excellent solid stability and mechanical stability, and can be stably stored for a long time, and the preparation method is simple and convenient, has good repeatability, and has important application value for the development of the medicine in the future.

The invention discloses a preparation process of a Baloxavir marboxil and tropine acid eutectic crystal form. The X-ray powder diffraction pattern of the Baloxavir marboxil and tropine acid eutectic crystal form under Cu-Ka radiation has diffraction angle 2theta values of 4.7 + / -0.2 degrees, 9.1 + / -0.2 degrees, 10.0 + / -0.2 degrees, 10.8 + / -0.2 degrees, 11.9 + / -0.2 degrees, 13.4 + / -0.2 degrees, 14.1 + / -0.2 degrees, 15.0 + / -0.2 degrees, 16.4 + / -0.2 degrees, 17.5 + / -0.2 degrees, 18.0 + / -0.2 degrees, 19.1 + / -0.2 degrees, 20.5 + / -0.2 degrees, 21.5 + / -0.2 degrees, 22.5 + / -0.2 degrees, 23.8 + / -0.2 degrees, 24.5 + / the angle is 30.7 + / -0.2 degrees, and the angle is 31.6 + / -0.2 degrees. And characteristic peaks exist at all positions. The Baloxavir marboxil and tropine acid eutectic crystal form provided by the invention has stable physicochemical properties, excellent solid stability and mechanical stability, and can be stably stored for a long time, the preparation method is simple and convenient, the repeatability is good, and the Baloxavir marboxil and tropine acid eutectic crystal form has important application value for the development of the medicine in the future.

The present disclosure provides crystalline forms of the compound having formula (I): (I), wherein the crystalline forms are crystalline Forms A, B, C, E, F, and H, each of which is characterized by an X-ray powder diffraction (XRPD) pattern. The present disclosure also provides methods for preparing crystalline forms, in particular Form A. The present disclosure further provides methods of treating various skin disorders using the crystalline forms of the disclosure or a pharmaceutical composition thereof.

The invention discloses a preparation process of a Baloxavir marboxil and L-tartaric acid eutectic crystal form. The X-ray powder diffraction pattern of the Baloxavir marboxil and L-tartaric acid eutectic crystal form under Cu-Ka radiation has diffraction angle 2theta values of 8.7 + / -0.2 degrees, 10.8 + / -0.2 degrees, 11.6 + / -0.2 degrees, 13.2 + / -0.2 degrees, 13.8 + / -0.2 degrees, 14.3 + / -0.2 degrees, 15.8 + / -0.2 degrees, 16.2 + / -0.2 degrees, 16.4 + / -0.2 degrees, 17.5 + / -0.2 degrees, 18.6 + / -0.2 degrees, 18.9 + / -0.2 degrees, 19.4 + / -0.2 degrees, 19.8 + / -0.2 degrees, 20.1 + / -0.2 degrees, 20.7 + / and characteristic peaks exist at the positions of 25.7 + / -0.2 degrees, 26.4 + / -0.2 degrees, 26.8 + / -0.2 degrees, 27.6 + / -0.2 degrees, 28.3 + / -0.2 degrees, 28.6 + / -0.2 degrees, 29.1 + / -0.2 degrees, 29.7 + / -0.2 degrees, 31.4 + / -0.2 degrees, 32.0 + / -0.2 degrees, 35.4 + / -0.2 degrees, 35.8 + / -0.2 degrees, 36.1 + / -0.2 degrees, 36.7 + / -0.2 degrees and 37.4 + / -0.2 degrees. The Baloxavir marboxil and L-tartaric acid eutectic crystal form provided by the invention has stable physicochemical properties, excellent solid stability and mechanical stability, and can be stably stored for a long time, the preparation method is simple and convenient, the repeatability is good, and the Baloxavir marboxil and L-tartaric acid eutectic crystal form has important application value for the development of the medicine in the future.

A crystalline aceclodine HCl hemihydrate of formula (I): having a DSC onset peak at a value between 137.08 DEG C and 139.08 DEG C and / or an X-ray powder diffraction pattern with a characteristic peak at 17.7 + / -0.2 and / or 20.47 + / -0.2, represented by a 2-theta value (2 theta).

The present invention belongs to the field of pharmaceutical synthesis technology, and in particular to a new crystal form of fosfomycin sodium and its preparation method and application. The X-ray powder diffraction pattern of the new crystal form of fosfomycin sodium has characteristic peaks at the following 2θ angle positions: 6.59 ± 0.2°, 6.90 ± 0.2°, 15.88 ± 0.2°, 18.43 ± 0.2°, 18.72 ± 0.2°, 20.94 ± 0.2° and 30.65 ± 0.2°. Its preparation method includes: fosfomycin left phosphorus right amine salt is dissolved in sodium hydroxide aqueous solution, liquid separation, water layer is added to alcohol solvent and stirred for crystallization, filter cake is washed after filtration, filter cake is passed through saturated water nitrogen and purged to the filter cake surface to appear molten state, vacuum drying, obtains fosfomycin sodium new crystal form. Fosfomycin sodium provided by the present invention is a hemihydrate crystal form, and its hygroscopicity is low, which is more conducive to subpackaging and mixing in production.

The invention provides a novel sarpogrelate hydrochloride crystal form and a preparation method and application thereof, an X-ray powder diffraction pattern of a crystal with the novel crystal form has characteristic peaks at 2theta values of 10.88 + / -0.1 degrees, 16.64 + / -0.1 degrees and 18.83 + / -0.1 degrees, and a differential scanning calorimetry analysis pattern of the crystal has an endothermic peak at 153-156 DEG C. The crystal has excellent stability, solubility and hygroscopicity as well as relatively high bioavailability and purity, and meanwhile, the preparation method is simple, the crystallization condition is mild, the cost is low, and the crystal is suitable for industrial production and can be used for preparing related pharmaceutical preparations.

The invention relates to a crystal form of a sulfoximine compound as well as a preparation method and application of the crystal form. Specifically, the invention discloses a crystal form of a compound as shown in formula (I) and a preparation method and application thereof, and the crystal form has excellent stability and can be widely applied to preparation of drugs for preventing and / or treating diseases related to increase of activity and expression quantity of FGFR2 (Fibroblast Growth Factor Receptor 2). The preferable crystal form of the # imgabs0 is a hydrochloride crystal form I of a compound shown in a formula I, and an X-ray powder diffraction pattern of the hydrochloride crystal form I has a 2 theta angle selected from the following groups: 6.68 + / -0.2 degrees, 13.34 + / -0.2 degrees and 21.42 + / -0.2 degrees.

The invention provides a salt type crystal of octreotide as well as a preparation method and application of the salt type crystal. The crystal has characteristic peaks when the 2 theta value is 7.7 degrees + / -0.2 degrees, 8.7 degrees + / -0.2 degrees, 9.5 degrees + / -0.2 degrees, 10.2 degrees + / -0.2 degrees, 13.6 degrees + / -0.2 degrees and 18.3 degrees + / -0.2 degrees by using X-ray powder diffraction of Cu-K alpha radiation. The orotate crystal form I of octreotide provided by the invention has the advantages in at least one aspect of solubility, melting point, stability, dissolution rate, hygroscopicity, adhesiveness, fluidity, bioavailability, processability, purification effect, preparation production, safety and the like, and provides a new better choice for preparation of a pharmaceutical preparation containing octreotide; and the method has very important significance on drug development.

The invention relates to a crystal form of 2-acrylamide-2-methylpropanesulfonic acid potassium salt (ATBS.K). The X-ray powder diffraction pattern of the crystal form has characteristic peaks at 2 theta (+ / -0.1 degrees) of 13.1 degrees, 14.4 degrees, 16.3 degrees, 19.8 degrees, 23.5 degrees, 24.3 degrees, 26.9 degrees, 27.6 degrees, 29.3 degrees, 30.6 degrees, 31.6 degrees, 34.3 degrees, 36.1 degrees, 41.7 degrees, 44.6 degrees and 46.7 degrees.

The invention discloses an androdenafil citrate crystal form and a preparation method thereof, and particularly provides a crystal form A to a crystal form H of androdenafil citrate, and X-ray powder diffraction analysis spectrums respectively correspond to a figure 1 to a figure 8. Compared with amorphous androdenafil citrate, the androdenafil citrate with the crystal structure obtained by the invention has higher purity, better stability and dissolution performance while ensuring the effect of inhibiting the activity of PDE5 enzyme, so that higher bioavailability can be obtained, the safety of clinical application is improved, and the androdenafil citrate is more suitable for medicine application.

The invention provides a gamma-cyclodextrin crystal form A and a preparation method thereof, an X-ray powder diffraction pattern of the gamma-cyclodextrin crystal form A has characteristic peaks when a 2 theta value is 9.15 + / -0.2 degrees, 12.04 + / -0.2 degrees and 16.35 + / -0.2 degrees, and the preparation method comprises the following steps: adding a certain amount of gamma-cyclodextrin into a certain amount of water, stirring, and carrying out ultrasonic dispersion to obtain a gamma-cyclodextrin crystal form A; the preparation method comprises the following steps: covering a bottle with a cover, heating in a biochemical incubator, dissolving, filtering a dissolved clear solution into a nuclear magnetic tube, adding a certain amount of hydroxypropyl methyl cellulose, vacuumizing, introducing nitrogen, fastening a rubber plug, heating in the biochemical incubator, setting heating and cooling procedures of the biochemical incubator, crystallizing, separating out white cluster-shaped solids at the bottom of the bottle, and drying, thereby obtaining the white cluster-shaped solid. And separating out a solid to obtain the gamma-cyclodextrin crystal form A. The crystal form A is low in energy, more stable, higher in stacking density and convenient to package, transport and store.

The invention provides a crystal form VII of free alkali of rafenasin and a preparation method of the crystal form VII. The refenasin free alkali crystal form VII is good in stability, simple in preparation process and suitable for industrial production, and an X-ray powder diffraction pattern of the refenasin free alkali crystal form VII is represented by 2theta + / -0.20 degrees and has characteristic peaks of 4.898 degrees, 10.742 degrees, 13.448 degrees, 14.065 degrees, 17.138 degrees, 17.376 degrees, 18.982 degrees, 19.860 degrees, 20.282 degrees and 21.766 degrees.

This invention provides a method for preparing and testing powder diffraction standards for determining internal residual stress, belonging to the field of residual stress detection. The powder standards prepared by this invention possess shape retention capabilities, meeting the requirements of the transmission diffraction optical path in non-destructive diffraction determination of internal residual stress. The powder, after being bonded with an adhesive, forms a blocky solid form, and standards of different sizes can be prepared according to the penetration depth of different diffraction sources on different substrate materials. Furthermore, the ratio of powder to adhesive can be adjusted to obtain different diffraction volume ratios. By testing the uniformity of diffraction peak intensity distribution in translational and rotational degrees of freedom, the uniformity of the internal lattice distribution and orientation of the standard sample can be determined, thereby testing and judging the uniformity of the standard sample.

A process for preparing (R)-N-((S)-1-(4-(3,3-dimethyl-2-oxoindolin-1-yl)piperidin-1-yl)-1-oxo-4-phenylbutan-2-yl)piperidine-3-carboxamide HCl-salt Crystalline Form A, wherein the HCl-salt Crystalline Form A is characterized by an X-ray powder diffraction (XRPD) pattern obtained by irradiation with copper K-alpha (Cu Kα) radiation comprising peaks at 14.7±0.2 and 17.5±0.2 degrees two-theta, which comprises the step of crystallizing the crystalline form from a solvent.

The present invention relates to the crystalline form of bipyrimidine compounds, as well as methods for preparing the same and their use. In particular, the present invention relates to crystalline form I of 4'-cyclopropyl-5,6'-dimethoxy-N-((4-(1-methyl-4-(trifluoromethyl)-1H-imidazole-2-yl)bicyclo[2.2.2]octan-1-yl)methyl)-[2,5'-bipyrimidine]-4-amine, wherein the X-ray powder diffraction pattern of crystalline form I includes characteristic peaks at diffraction angles (2θ) of 6.378±0.2°, 9.521±0.2°, 15.721±0.2°, 16.379±0.2°, 16.981±0.2°, 17.560±0.2°, 19.080±0.2° and 22.200±0.2°. Crystal form I possesses high stability, high solubility, high plasma concentration, high bioavailability, and excellent pharmacological activity, making it suitable for pharmaceutical preparations.

The invention discloses an OEA and PEA eutectic crystal and a preparation method and application thereof, the eutectic crystal comprises oleoyl ethanolamine and hexadecanamide ethanol according to a substance amount ratio of 1: 1-1: 1.2, and an X-ray powder diffraction pattern of the eutectic crystal has characteristic diffraction peaks when a 2 theta angle is 8.2 degrees + / -0.2 degrees, 12.5 degrees + / -0.2 degrees, 16.8 degrees + / -0.2 degrees, 21.3 degrees + / -0.2 degrees and 24.6 degrees + / -0.2 degrees. Compared with existing OEA, the eutectic crystal is higher in melting point and has more excellent stability. The preparation method of the OEA eutectic is simple, easy to control and good in reproducibility. According to the invention, the application convenience of the OEA is greatly improved, the cost in storage, transportation and use processes is saved, and the application range of the OEA is widened.

Provided are a computing device, a computing method, a program, and a machine learning model generation method for inferring a lattice volume from a distribution pattern of X-ray powder diffraction. A computing device (100) for inferring a lattice volume from a distribution pattern of X-ray powder diffraction includes an information acquisition unit (110) that acquires information related to the distribution pattern of X-ray powder diffraction, and an inference unit (120) that includes a machine learning model that takes information related to the distribution pattern of X-ray powder diffraction as input and outputs an inferred lattice volume, and infers the lattice volume from the information related to the distribution pattern of X-ray powder diffraction acquired by the information acquisition unit (110).

The invention discloses a crystal form of carboxamide triazole. The crystal form I shows characteristic peaks at the positions of 20.3 degrees + / -0.2 degrees, 22.1 degrees + / -0.2 degrees, 23.4 degrees + / -0.2 degrees, 25.2 degrees + / -0.2 degrees, 28.6 degrees + / -0.2 degrees and 28.9 degrees + / -0.2 degrees in an X-ray powder diffraction pattern expressed by a 2theta diffraction angle; the crystal form II shows characteristic peaks at the positions of 3.8 degrees + / -0.2 degrees, 14.9 degrees + / -0.2 degrees, 19.2 degrees + / -0.2 degrees, 22.3 degrees + / -0.2 degrees, 25.4 degrees + / -0.2 degrees and 28.9 degrees + / -0.2 degrees in an X-ray powder diffraction pattern represented by a 2theta diffraction angle; the crystal form III shows characteristic peaks at the positions of 3.4 degrees + / -0.2 degrees, 3.7 degrees + / -0.2 degrees, 12.1 degrees + / -0.2 degrees, 14.8 degrees + / -0.2 degrees, 20.2 degrees + / -0.2 degrees and 24.3 degrees + / -0.2 degrees in an X-ray powder diffraction pattern expressed by a 2theta diffraction angle.

The present invention provides a method for calculating the diffraction ability of a crystal with an unknown structure and a method for quantitative phase analysis, the method comprising: S1, constructing a hypothetical crystal, the hypothetical crystal having the same unit cell parameters as the crystal under study, and having only one atom at the unit cell origin of the hypothetical crystal, the type of the atom being the same as the type of one of the atoms in the unit cell of the crystal under study, and calculating the diffraction ability of the unit cell of the hypothetical crystal to X-rays; S2, executing the calculation process of S1 for each atom in the unit cell of the crystal under study, accumulating the diffraction abilities of the unit cells of all hypothetical crystals to X-rays, and obtaining the diffraction ability of the unit cell of the crystal under study to X-rays. The calculation method provided by the present invention can use X-ray powder diffraction data to perform quantitative phase analysis on a mixed substance containing a crystal phase with an unknown structure.

The present application relates to allulose crystals, which have an X-ray powder diffraction pattern including peaks at 2θ diffraction angles of 18.8±0.5°, 15.2±0.5°, and 19.5±0.5° in X-ray powder diffraction (XRD) analysis, a sweetener composition containing allulose crystals, and a method for producing allulose crystals.

The present invention proposes a pyrroloquinoline quinone disodium salt crystal and a preparation method thereof. A pyrroloquinoline quinone disodium salt crystal, using Cu Ka radiation to perform X-ray powder diffraction, has characteristic peaks at diffraction angles 2θ of 8.347°, 13.540°, 15.252°, 16.690°, 17.537°, 21.329°, 22.642°, 25.824°, 27.439°, 29.923°, 33.682°, 34.519°, 38.863°, and 47.534°, with an error of ±0.2°. The pyrroloquinoline quinone disodium salt crystal of the present invention has a regular crystal morphology, high purity, high density, and good fluidity; the technical scheme of the present invention can conveniently manufacture pyrroloquinoline quinone disodium salt without using an organic solvent, has a simple process, good reproducibility, and is suitable for large-scale production.

Disclosed herein are solid forms containing a compound of formula (I): or a solvate, hydrate or isotope thereof, wherein the solid form is characterized by an X-ray powder diffraction pattern, acquired in Gandolfi mode, having at least one peak position, in degrees 2θ (± 0.2°), selected from 5.26, 6.36, 21.50 and 22.50. Also disclosed herein are solid forms containing the compound of formula (I) in which a crystalline fraction (Xc) ranges from about 15% to about 25%, and an amorphous fraction (Xa) ranges from about 85% to about 75%. Also disclosed herein are related pharmaceutical compositions and methods of treatment.

The invention relates to the technical field of pesticide crystal form molecules, and discloses a dodine crystal form as well as a preparation method and application thereof. The dodine crystal form has characteristic absorption peaks when 2theta is 6.40 + / -0.2 degrees and 19.20 + / -0.2 degrees in an X-ray powder diffraction pattern of the dodine crystal form under Cu-K alpha radiation at the temperature of 25 DEG C; the crystal form has a block-shaped or sheet-shaped crystal habit. According to the invention, the crystal form singleness of the product in the production, storage and transportation processes can be ensured, and the stability of the product is ensured; and the crystal habit is qualitatively characterized by PXRD, so that the quality standard of the original medicine and the preparation can be more effectively controlled, and the standard is provided for the practical application process.

The application discloses an organic amine modified HMS molecular sieve and application thereof in carbon dioxide capture, and specifically relates to the following steps: first, preparing mesoporous molecular sieve HMS, which contains two kinds of pore structures, 4.5-8.0 nm and 11.5-17.5 nm respectively, and a single wide diffraction peak is presented at 2theta=2.6 degrees in X-ray powder diffraction; then, grafting amino silane on the surface of the mesoporous molecular sieve HMS; and finally, immersing the mesoporous molecular sieve HMS in an organic amine solution to obtain a multilevel organic amine modified HMS molecular sieve. The synthesis method is simple, the carbon dioxide adsorption efficiency is high, and the thermal stability is good.

To provide a crystalline form of a free base of a compound which is an ALK and ROS1 kinase inhibitor having deuterium atoms, or a pharmaceutically acceptable salt thereof.SOLUTION: The present invention provides a crystalline form I of the compound of formula (A), characterized in that its X-ray powder diffraction pattern obtained using CuKα radiation includes at least the characteristic peaks located at the following °2θ: 16.175±0.2, 17.299±0.2 and 21.218±0.2.SELECTED DRAWING: None