35 results about "Powder diffraction" patented technology

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.

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).

Provided are a crystal form of a five-membered and six-membered compound, a preparation method and application thereof, in particular, a crystal form A, a crystal form B, a crystal form C, a crystal form D, a crystal form F, a crystal form G, a crystal form H, a crystal form I or a crystal form J of a five-membered and six-membered compound as shown in formula X. The crystal form A has an X-ray powder diffraction pattern expressed by a 2θ angle using Cu-Kα radiation, and has diffraction peaks at 6.9±0.2°, 11.2±0.2°, 12.2±0.2°, 13.7±0.2°, 17.3±0.2°, 18.2±0.2° and 24.3±0.2°. The crystal form of the five-membered and six-membered compound provided has an inhibitory or / and degrading effect on IRAK4, has potential clinical application value, is expected to improve the prognosis of patients and reduce the possibility of drug resistance, and has good solubility, physical and chemical stability and mechanical stability.

Provided herein are integrin inhibitors, compositions thereof, and methods of their uses. Crystalline forms of salts of the inhibitors are also described, along with methods of preparing the crystalline forms. X-ray powder diffraction data, thermogravimetric analysis, and differential scanning calorimetry data are provided for the crystalline forms. The integrin inhibitors are useful for treatment of, inter alia, fibrotic diseases.

[Problem] To provide an atorvastatin calcium anhydride crystal having higher solubility than that of a conventional hydrate crystal and being more stable than an amorphous form. [Solution] The present invention pertains to an atorvastatin calcium anhydride crystal that exhibits an X-ray diffraction pattern, which has peaks at 2θ = 8.7°, 10.4°, 18.1°, 19.5°, 20.9°, 22.5°, 24.1°, and 25.6°, by X-ray powder diffraction measurement (XRPD) using CuKα radiation.

This disclosure provides a sample holder, diffraction testing system, and method for X-ray powder diffraction. The sample holder includes: a clamping part capable of clamping onto an XYZ triaxial base and being positionally adjusted along the XYZ axes by the base; the clamping part includes a hollow cylindrical portion and a hollow frustum portion located above the hollow cylindrical portion, the hollow cylindrical portion and the hollow frustum portion being coaxial and having the same inner diameter; a loading part including a first cylindrical portion and an annular portion located above the first cylindrical portion, the annular portion having holes for filling the sample, and the first cylindrical portion being insertable into the hollow frustum portion from above; and a pressing needle part including a second cylindrical portion for holding and a third cylindrical portion for filling and compacting the sample into the loading part. The X-ray powder diffraction sample holder of this disclosure can effectively fix experimental samples for X-ray powder diffraction.

This invention discloses a selenite crystal and its preparation method. X-ray powder diffraction of the selenite crystal, measured using Cu-Kα radiation, yielded diffraction angles (expressed as 2θ) of 17.7°±0.2°, 19.5°±0.2°, 20.0°±0.2°, 22.9°±0.2°, 24.5°±0.2°, 24.9°±0.2°, 26.2°±0.2°, 29.8°±0.2°, 30.2°±0.2°, 31.4°±0.2°, and 33°. Characteristic peaks are observed at 0°±0.2°, 34.3°±0.2°, 35.8°±0.2°, 36.6°±0.2°, 37.4°±0.2°, 37.5°±0.2°, and 38.4°±0.2°. A characteristic endothermic peak is observed at 73.4℃ in the differential scanning calorimetry (DSC) spectrum of the crystal. This invention features a simple preparation route, mild reaction conditions, convenient operation, low cost, and good process reproducibility. The prepared selenite has a stable crystal form, making it suitable for large-scale industrial production of pharmaceutical raw materials.

The present application relates to a kind of compound 2-[(full-E)3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracosaalkyl]-5,6-dimethoxy-3-methyl-p-benzoquinone crystal form and its preparation method and application, belong to chemical engineering crystallization field.The technical problem to be solved is to provide a crystal form with significantly improved stability, significantly improve the light stability of the compound, and further more conducive to storage and transportation, better ensure the consistency of therapeutic effect, reduce the effect fluctuation or adverse reaction caused by dissolution difference.Characteristic diffraction peak of X-ray powder diffraction pattern expressed by 2θ value ± 0.2° using Cu-Kα radiation includes 4.70, 6.25, 15.65, 17.22, 19.18, 20.45, 27.39.

A correction apparatus reduces time and labor, reduces an artificiality, and improves reproducibility of correction by correcting a shift of a profile with an automatically estimated correction amount. A correction apparatus for correcting a profile of X-ray powder diffraction comprises processing circuitry configured to set a reference profile, set an estimation method for estimating a correction amount related to a sample height, estimate the correction amount based on the estimation method, and correct a subject profile based on the correction amount, wherein the correction amount is a value that maximizes a degree of coincidence between the corrected subject profile and the reference profile.

This invention discloses a novel crystalline form of tanshinone hemihydrate, its preparation method, and its applications, belonging to the fields of microbial fermentation and crystallization technology. The crystalline form of this invention, as determined by X-ray powder diffraction, infrared analysis, melting point determination, and nuclear magnetic resonance, is significantly different from the crystalline form of tanshinone in existing technologies. The novel crystalline form of tanshinone hemihydrate prepared by this invention exhibits solubility exceeding 580 mg / mL in water and organic solvents, along with excellent chemical stability and purity. It is easy to prepare on a large scale, simple to operate, and has broad application prospects.

This invention belongs to the field of pharmaceutical technology, specifically relating to the crystal form of 3-(3,5-dichloro-4-hydroxybenzoyl)-1,1-dioxo-2,3-dihydro-1,3-benzothiazole (compound of formula I) and its preparation method. The X-ray powder diffraction pattern of crystal form F of compound I shows diffraction peaks at 2θ values ​​of 12.0°, 14.0°, 16.5°, 20.3°, 21.7°, 23.9°, 24.5°, 28.0°, 28.8°, and 30.1°, with an error range of ±0.2° for the 2θ values. Compared with existing type II and type I crystals and hydrates of compound I, crystal form F of compound I exhibits lower hygroscopicity, higher solubility, and better flowability, thus possessing value for pharmaceutical industrial applications.

Disclosed herein are solid forms of 7-((2R,4S)-4-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl-2,2,3,3-d4)oxy)-2-methylpiperidin-1-yl)-8-methyl-4H-pyrimido[1,2-b]pyridazin-4-one hydrochloride, including a crystalline Form X of exhibiting at least X-ray lines (in degrees 2θ ± 0.2°) at 6.69, 8.52, 10.29, 17.42, 20.64, 21.08, 26.22 and 29.52 in a powder diffraction pattern when measured using Cu Kα radiation. Also disclosed herein are pharmaceutical compositions containing the same, and to methods of their use and preparation.

A calculation apparatus, a calculation method, a program, and a machine-learning model generating method for inferring a lattice volume from a profile of X-ray powder diffraction includes an information acquiring section for acquiring information on the profile of X-ray powder diffraction and an inference section for inferring the lattice volume from the acquired information on the profile of X-ray powder diffraction, the inference section including a machine-learning model for inputting information on the profile of X-ray powder diffraction and outputting the inferred lattice volume.

The present application relates to chemical technology field, and discloses a kind of two end tapering instant potassium dihydrogen phosphate crystal and preparation method thereof;The crystal X-ray powder diffraction diagram has 17 characteristic peaks at 2θ=16.8±0.2°, 23.1±0.2° and the like, and is formed by microcrystalline directional assembly;Preparation method is as follows: potassium dihydrogen phosphate is dissolved in water to form saturated solution at 50-80 ℃, one or more of iron chloride hexahydrate, iron sulfate, iron phosphate is added as inorganic salt ion additive, after filtering to remove insoluble matter, it is cooled to 0-30 ℃ crystallization under stirring, after filtration, it is washed with anhydrous ethanol, acetone or saturated potassium dihydrogen phosphate solution, and vacuum drying at 30-65 ℃ is obtained.The process is simple, energy consumption is low, and reproducibility is high, product purity is more than 99%, and the yield is more than 60%, and the mother liquor can be recycled.The solubility and dissolution rate of the obtained crystal are better than those of commercial products, and it is suitable for instant water-soluble fertilizer.

The present invention relates to a crystal form of a sulfoximine compound, a preparation method therefor, and a use thereof. Specifically, disclosed are a crystal form of a compound as shown in a formula (I), a preparation method therefor, and a use thereof. The crystal form has excellent stability, and can be widely applied to the preparation of drugs for preventing and / or treating diseases related to increased FGFR2 activity and expression level. The crystal form is preferably a hydrochloride crystal form I of the compound represented by formula I, and the X-ray powder diffraction pattern of the hydrochloride crystal form I has a 2θ angle selected from the following group: 6.68 + / -0.2 degrees, 13.34 + / -0.2 degrees, and 21.42 + / -0.2 degrees.

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.

Provided is a lurbinectedin crystal form having characteristic absorption peaks at diffraction angles 2θ of 4.55±0.2°, 6.16±0.2°, 7.61±0.2°, 9.17±0.2°, 9.54±0.2°, and 9.89±0.2° in an X-ray powder diffraction pattern using a Cu-Kα radiation source. Also provided are novel lurbinectedin crystal forms II, III, IV, and V. The crystal forms I-V features high purity, good stability, good solubility and the like, the absence of the problems of difficulties in filtration and static electricity in the prior art, a simple preparation method, available and cost-efficient solvents, mild crystallization conditions, and suitability for industrial mass production.

The present application relates to a crystal form of sodium morlitset, its preparation method and use. The present application provides two crystal forms of 1-[6-(morpholine-4-yl)pyrimidin-4-yl]-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-5-ol sodium (i.e. sodium morlitset), wherein the X-ray powder diffraction pattern of crystal form A has characteristic peaks at 2θ values of 17.1°±0.2°, 24.2°±0.2° and 26.6°±0.2°, and the X-ray powder diffraction pattern of crystal form B has characteristic peaks at 2θ values of 6.5°±0.2°, 9.7°±0.2°, 16.5°±0.2° and 26.6°±0.2°. The crystal forms of sodium morlitset of the present application all have the advantages of good solubility, good stability, high bioavailability and suitability for industrial production.

The present application relates to the technical fields of C07D413 / 10, and more particularly, it relates to a new crystal form of isoxazoline uracil compound, a preparation method and an application.A new crystal form of isoxazoline uracil compound has a characteristic peak at a diffraction angle 2 theta of 6.3+ / -0.2, 7.2+ / -0.2, 11.2+ / -0.2, 14.3+ / -0.2, 17.3+ / -0.2, 19.6+ / -0.2, 20.7+ / -0.2, 24.3+ / -0.2, 25.2+ / -0.2 and 26.1+ / -0.2 in an X-ray powder diffraction pattern.The present application provides a new crystal form of isoxazoline uracil compound, which solves the problems of pipeline blockage, difficult material taking, inaccurate metering, difficult storage and sub-packaging caused by the oil-like isoxazoline uracil compound in the prior art.

This invention discloses a crystal form of a benzenesulfonate containing a piperidine ring compound, its preparation method, and its application. This invention provides a crystal form A1 of compound (2), which, using Cu-Kα radiation and X-ray powder diffraction patterns expressed in 2θ angles, exhibits diffraction peaks at 5.971°±0.200°, 7.088°±0.200°, 12.068°±0.200°, 15.881°±0.200°, 20.557°±0.200°, and 21.599°±0.200°. The crystal form is stable, and through the crystal form preparation steps, the content of isomer impurities as shown in formula (1′) can be significantly reduced.

This application discloses a ZSM-35 molecular sieve and its preparation method, belonging to the field of ZSM-35 molecular sieve synthesis technology. The ZSM-35 molecular sieve is a pure phase. In the X-ray powder diffraction pattern of the ZSM-35 molecular sieve: at 2θ angles of (9.3±2)°, (12.5±2)°, (12.7±2)°, (13.4±2)°, (22.3±2)°, (22.5±2)°, (23.1±2)°, (23.6±2)°, (24.4±2)°, (25.2±2)°, (… Characteristic diffraction peaks of ZSM-35 molecular sieve (9.3), (12.5), (12.7), (13.4), (22.3), (22.6), (23.2), (23.6), (24.4), (25.2), (25.6), and (29.4) were observed at (25.6±2)° and (29.4±2)°. The relative crystallinity of ZSM-35 molecular sieve is 95~180. The preparation method of ZSM-35 molecular sieve uses a template agent and a single alkali source, which shortens the synthesis time, produces ZSM-35 molecular sieve with high crystallinity, has good reproducibility, and is easy to industrialize; moreover, the raw materials used are inexpensive, reducing the synthesis cost.

The present application relates to a nylestriol crystal form B and a preparation method thereof, and belongs to the technical field of biological medicine. The nylestriol crystal form B has characteristic peaks at 3.6±0.2°, 5.1±0.2°, 6.3±0.2°, 8.8±0.2°, 11.0±0.2°, 14.4±0.2°, 17.0±0.2°, 18.0±0.2°, 19.5±0.2°, 20.6±0.2°, 21.3±0.2°, 21.8±0.2°, 22.9±0.2°, 23.3±0.2°, 23.8±0.2°, 25.5±0.2°, 26.3±0.2° and the like in an X-ray powder diffraction pattern expressed in 2θ using Cu-Kα radiation. The prepared nylestriol crystal form B has a purity of 99.3% or more and good stability, and can be used for preparing long-acting and mild estrogen replacement drugs.

The present application relates to the technical field of medicine, and in particular to a crystal form of acetyl camosin, a preparation method and application thereof.The X-ray powder diffraction pattern of the crystal form of acetyl camosin has diffraction peaks at 2θ±0.2° positions of 9.5096°, 13.0903°, 15.5016°, 22.7733°, 26.2705° and 27.0096°. The crystal provided by the present application has high solubility, good thermal stability and low hygroscopicity, and has the advantage of large-scale industrial production.

This invention provides a novel crystalline form of phenelzine optically active intermediate IIa and its preparation method. The powder X-ray diffraction pattern of this novel crystalline form has the following characteristic diffraction angles: 8.89°, 12.78°, 19.33°, 21.43°, 22.05°, 26.77°, and 27.01°, with an error range of ±0.2° for the diffraction angle 2θ values. This invention also provides a method for preparing this novel crystalline form and its pharmaceutical applications, including its use in the preparation of phenelzine, and even its use as a chiral resolving agent in the preparation of phenelzine.

The application discloses a kind of sorafenib co-amorphous drug and its preparation method and application.Co-amorphous drug is made of active ingredient sorafenib and ligand according to 1:1 mole ratio;Ligand is selected from any one of L-phenylalanine, L-proline, L-arginine and indometacin;Sorafenib and ligand form single homogeneous amorphous structure by intermolecular interaction.By X-ray powder diffraction, differential scanning calorimetry and infrared spectroscopy, the results show that sorafenib and ligand form single homogeneous amorphous structure by intermolecular hydrogen bond interaction.Compared with sorafenib crystalline raw material and physical mixture, the application improves the equilibrium solubility and dissolution rate of sorafenib in physiological medium, and shows excellent physical stability, can effectively inhibit the recrystallization of drug during storage, provides a new preparation strategy for improving the oral bioavailability of sorafenib.

The present application provides a crystal of a specific oxazole compound having specific inhibitory activity against PDE4, and the crystal shows excellent stability. Specifically, the present application provides a crystal of an oxazole compound represented by formula (5), wherein the crystal has peaks at diffraction angles 2θ (°) of 9.6 ± 0.2, 19.1 ± 0.2 and 21.2 ± 0.2 in an X-ray powder diffraction pattern measured with CuKα characteristic X-rays.