Abstract: The present disclosure relates to crystallizing a chemical substance(s) using ultrasound. Methods are provided for screening a chemical substance according to its solid forms by using ultrasound to generate new or unusual solid forms. Methods are also provided for crystallizing a chemical substance by novel techniques that include sonication. The present disclosure also relates to cocrystallization using ultrasound. Methods are provided for preparing cocrystals of an active agent and a guest by sonicating and crystallizing. Methods are also provided for screening a sample according to solid state phases (such as cocrystals and salts) and include generating a cocrystal from the sample using ultrasound.

Abstract: The present disclosure relates to crystallizing a chemical substance(s) using ultrasound. Methods are provided for screening a chemical substance according to its solid forms by using ultrasound to generate new or unusual solid forms. Methods are also provided for crystallizing a chemical substance by novel techniques that include sonication. The present disclosure also relates to cocrystallization using ultrasound. Methods are provided for preparing cocrystals of an active agent and a guest by sonicating and crystallizing. Methods are also provided for screening a sample according to solid state phases (such as cocrystals and salts) and include generating a cocrystal from the sample using ultrasound.

Abstract: A method of analyzing patterns. The method comprises: receiving a first diffraction pattern; receiving a second diffraction pattern; receiving a third diffraction pattern; determining a similarity between the first and second diffraction patterns; determining a similarity between the first and third diffraction pattern; determining a similarity between the second and third diffraction pattern; and performing hierarchical cluster analysis on the first and second diffraction pattern based on the determined similarity.

Abstract: Microplates having a body defining a plurality of wells, wherein the wells have at least one bottom portion configured to allow the sample to be analyzed by various methods in situ with minimized background interference in the data obtained, and methods of using the same, are disclosed. The improved microplate may also have wells having certain shapes and/or sizes to allow the sample to be analyzed with minimized background interference in the data obtained. A system for obtaining high-quality XRPD or Raman data is also disclosed.

Abstract: A method of analyzing patterns. The method comprises: receiving a first diffraction pattern; receiving a second diffraction pattern; receiving a third diffraction pattern; determining a similarity between the first and second diffraction patterns; determining a similarity between the first and third diffraction pattern; determining a similarity between the second and third diffraction pattern; and performing hierarchical cluster analysis on the first and second diffraction pattern based on the determined similarity.

Abstract: A method of analyzing patterns. The method comprises: receiving a first diffraction pattern; receiving a second diffraction pattern; receiving a third diffraction pattern; determining a similarity between the first and second diffraction patterns; determining a similarity between the first and third diffraction pattern; determining a similarity between the second and third diffraction pattern; and performing hierarchical cluster analysis on the first and second diffraction pattern based on the determined similarity.

Abstract: The present invention relates to a method and apparatus for X-ray diffraction analysis. An improved sample holder is provided that includes a curved surface or a plurality of surfaces at different planes. An improved sample holder also has removable individual sample holders.

Abstract: Methods for searching for possible forms of a sample and methods of screening a sample according to its form comprise disposing the sample in at least one receptacle that defines a capillary space, such as a capillary tube. The sample is solidified to generate at least one solid form or semisolid form, and the generated form is analyzed and classified. The analysis may determine differences in molecular arrangement of the various forms or characteristics that reflect the form. The methods may employ a plurality of samples, conditions, or receptacles in an effort to generate a variety of forms, so that all or a high percentage of possible forms are obtained.

Abstract: Methods for searching for possible forms of a sample and methods of screening a sample according to its form comprise disposing the sample in at least one receptacle that defines a capillary space, such as a capillary tube. The sample is solidified to generate at least one solid form or semisolid form, and the generated form is analyzed and classified. The analysis may determine differences in molecular arrangement of the various forms or characteristics that reflect the form. The methods may employ a plurality of samples, conditions, or receptacles in an effort to generate a variety of forms, so that all or a high percentage of possible forms are obtained.

Abstract: A method of analyzing patterns. The method comprises: receiving a first diffraction pattern; receiving a second diffraction pattern; receiving a third diffraction pattern; determining a similarity between the first and second diffraction patterns; determining a similarity between the first and third diffraction pattern; determining a similarity between the second and third diffraction pattern; and performing hierarchical cluster analysis on the first and second diffraction pattern based on the determined similarity.

Abstract: Methods for searching for possible forms of a sample and methods of screening a sample according to its form comprise disposing the sample in at least one receptacle that defines a capillary space, such as a capillary tube. The sample is solidified to generate at least one solid form or semisolid form, and the generated form is analyzed and classified. The analysis may determine differences in molecular arrangement of the various forms or characteristics that reflect the form. The methods may employ a plurality of samples, conditions, or receptacles in an effort to generate a variety of forms, so that all or a high percentage of possible forms are obtained.

Abstract: The co-formation of diarylalkane by-product in the chloroalkylation of an aromatic compound with an ether corresponding to the formula R-O-R', wherein R is an .alpha.-chloroalkyl group containing at least two carbons and R' is R or alkyl, is minimized by conducting the reaction with agitation in the absence of a cosolvent and in the presence of both hydrogen sulfate and hydrogen chloride.

Abstract: Phosphorus compounds having at least one chlorine, bromine or iodine bonded directly to phosphorus are transhalogenated with fluorine by reaction with anhydrous hydrogen fluoride in an inert solvent, e.g., xylene, methylene chloride, in a manner such that said anhydrous hydrogen fluoride is added to said phosphorus compound at a rate such that said anhydrous hydrogen fluoride reacts with said phosphorus compound without the accumulation of an amount of unreacted anhydrous hydrogen fluoride which is sufficient to cause substantial decomposition of the desired fluorophosphorus product. A catalytic amount of a pyridine-type compound may optionally included in the reaction.

Abstract: The co-formation of diarylalkane by-product in the bromoalkylation of an aromatic compound with an ether corresponding to the formula R--O--R', wherein R is an .alpha.-chloroalkyl group containing at least two carbons and R' is R or alkyl, is minimized by conducting the reaction with agitation in the absence of a cosolvent and in the presence of both hydrogen sulfate and hydrogen bromide.

Abstract: Phosphorus compounds having at least one chlorine, bromine or iodine bonded directly to phosphorus are transhalogenated with fluorine by reaction with anhydrous hydrogen fluoride in an inert solvent, e.g., xylene, methylene chloride, in a manner such that said anhydrous hydrogen fluoride is added to said phosphorus compound at a rate such that said anhydrous hydrogen fluoride reacts with said phosphorus compound without the accumulation of an amount of unreacted anhydrous hydrogen fluoride which is sufficient to cause substantial decomposition of the desired fluorophosphorus product.

Abstract: A monoalkylaromatic hydrocarbon is haloethylated to a 1-halo-1-arylethane with minimal co-formation of diarylalkane by-product by reacting it with hydrogen chloride or bromide and acetaldehyde in the presence of sulfuric acid only until not more than about 60% of the monoalkylaromatic hydrocarbon has been converted.

Abstract: 1-Cyano-1-(4-alkylphenyl)alkenes having utility as chemical intermediates, especially in the preparation of ibuprofen and related pharmaceuticals, are prepared by reacting an alkylbenzene with an alkali metal cyanide and an acid halide in the presence of aluminum chloride.

Abstract: A monoalkylaromatic hydrocarbon is haloethylated to a 1-halo-1-arylethane with minimal co-formation of diarylalkane and acetaldehyde by-products by reacting it with hydrogen chloride or bromide and a stoichiometric deficit of acetaldehyde in the presence of sulfuric acid in an amount such as to provide at least two mols of hydrogen sulfate per mol of acetaldehyde and less than 1.5 mols of hydrogen sulfate per mol of the monoalkylaromatic hydrocarbon.

Abstract: A new process for preparing ibuprofen or its alkyl esters is provided. A 1-halo-1-(4-isobutylphenyl)ethane is reacted with carbon monoxide in the presence of water or an alcohol at a temperature between about 10.degree. C. and about 200.degree. C. An excess of several moles of water or alcohol is preferred. An acid such as hydrochloric acid may also be added. As catalyst, a palladium compound and at least one acid-stable ligand are present; however an excess of ligand over palladium is advantageous.

Abstract: Arylacetonitriles corresponding to the formula Ar-CH(R)CN are prepared by reducing a cyanohydrin corresponding to the formula Ar-C(R)(OH)CN with phosphorus pentasulfide in an inert solvent; Ar in the formulas representing aryl and R being hydrogen or alkyl. The products are primarily useful as pharmaceutical and agricultural intermediates.