0000000001301669

AUTHOR

Agris Be̅rziņš

showing 28 related works from this author

On the Formation of Droperidol Solvates: Characterization of Structure and Properties

2014

A solvate screening and characterization of the obtained solvates was performed to rationalize and understand the solvate formation of active pharamaceutical ingredient droperidol. The solvate screening revealed that droperidol can form 11 different solvates. The analysis of the crystal structures and molecular properties revealed that droperidol solvate formation is mainly driven by the inability of droperidol molecules to pack efficiently. The obtained droperidol solvates were characterized by X-ray diffraction and thermal analysis. It was found that droperidol forms seven nonstoichiometric isostructural solvates, and the crystal structures were determined for five of these solvates. To b…

ChemistryStereochemistryGeneral ChemistryCrystal structureCondensed Matter PhysicsSolventCrystallographyLattice constantmedicineMoleculeGeneral Materials ScienceIsostructuralHydrateThermal analysisDroperidolmedicine.drugCrystal Growth & Design
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Comparison and Rationalization of Droperidol Isostructural Solvate Stability: An Experimental and Computational Study

2014

In order to find a tool for comparison of solvate stability and to rationalize their relative stability, droperidol nonstoichiometric isostructural solvates were characterized experimentally and computationally. For the experimental evaluation of stability, three comparison tools were considered: thermal stability characterized by the desolvation rate, desolvation activation energy, and solvent sorption–desorption isotherms. It was found that the desolvation process was limited by diffusion, and the same activation energy values were obtained for all of the characterized solvates, while the solvent content in the sorption isotherm was determined by the steric factors. Therefore, the only cr…

Steric effectsChemistryDiffusionThermodynamicsGeneral ChemistryActivation energyCondensed Matter PhysicsStability (probability)SolventCrystallographyGeneral Materials ScienceDesolvationThermal stabilityIsostructuralCrystal Growth & Design
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Speciation of Substituted Benzoic Acids in Solution: Evaluation of Spectroscopic and Computational Methods for the Identification of Associates and T…

2021

Materials scienceComputational chemistrylawGenetic algorithmGeneral Materials ScienceIdentification (biology)General ChemistryCrystallizationCondensed Matter Physicslaw.inventionCrystal Growth & Design
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Structural Characterization and Rationalization of Formation, Stability, and Transformations of Benperidol Solvates

2015

Experimental and theoretical characterization and studies of phase transitions and stability of the solvates obtained in solvate screening of the pharmaceutical compound benperidol were performed to rationalize and understand the solvate formation, stability, and phase transitions occurring during their desolvation. The solvate screening revealed that benperidol can form 11 solvates, including two sets of isostructural solvates. The analysis of the solvate crystal structures and molecular properties indicated that benperidol solvate formation is mainly driven by the complications during packing of benperidol molecules in an energetically efficient way in the absence of solvent molecules, as…

Phase transitionHydrogen bondChemistryGeneral ChemistryCrystal structureCondensed Matter PhysicsCharacterization (materials science)SolventBenperidolCrystallographymedicineMoleculeGeneral Materials ScienceIsostructuralmedicine.drugCrystal Growth & Design
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CCDC 1046558: Experimental Crystal Structure Determination

2015

Related Article: Agris Be̅rziņš , Edgars Skarbulis , and Andris Actiņš|2015|Cryst.Growth Des.|15|2337|doi:10.1021/acs.cgd.5b00138

Space GroupCrystallographyCrystal System1-(1-[4-(4-Fluorophenyl)-4-oxobutyl]piperidin-4-yl)-13-dihydro-2H-benzimidazol-2-one hemihydrateCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1523462: Experimental Crystal Structure Determination

2017

Related Article: Toms Rekis, Agris Be̅rziņš, Lia̅na Orola Tamás Holczbauer, Andris Actinš, Andreas Seidel-Morgenstern, Heike Lorenz|2017|Cryst.Growth Des.|17|1411|doi:10.1021/acs.cgd.6b01867

Space GroupCrystallographyCrystal SystemCrystal Structure2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamideCell ParametersExperimental 3D Coordinates
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CCDC 1046551: Experimental Crystal Structure Determination

2015

Related Article: Agris Be̅rziņš , Edgars Skarbulis , and Andris Actiņš|2015|Cryst.Growth Des.|15|2337|doi:10.1021/acs.cgd.5b00138

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters1-(1-(4-(4-fluorophenyl)-4-oxobutyl)piperidin-4-yl)-13-dihydro-2H-benzimidazol-2-one ethyl acetate solvateExperimental 3D Coordinates
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CCDC 1046554: Experimental Crystal Structure Determination

2015

Related Article: Agris Be̅rziņš , Edgars Skarbulis , and Andris Actiņš|2015|Cryst.Growth Des.|15|2337|doi:10.1021/acs.cgd.5b00138

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters1-(1-(4-(4-fluorophenyl)-4-oxobutyl)piperidin-4-yl)-13-dihydro-2H-benzimidazol-2-one acetonitrile solvateExperimental 3D Coordinates
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CCDC 1046552: Experimental Crystal Structure Determination

2015

Related Article: Agris Be̅rziņš , Edgars Skarbulis , and Andris Actiņš|2015|Cryst.Growth Des.|15|2337|doi:10.1021/acs.cgd.5b00138

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters1-(1-(4-(4-fluorophenyl)-4-oxobutyl)piperidin-4-yl)-13-dihydro-2H-benzimidazol-2-one ethanol solvateExperimental 3D Coordinates
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CCDC 1510414: Experimental Crystal Structure Determination

2017

Related Article: Artis Kons, Agris Be̅rziņš, Andris Actinš|2017|Cryst.Growth Des.|17|1146|doi:10.1021/acs.cgd.6b01534

Space GroupCrystallography3-(hydroxy(bis(2-methylphenyl))methyl)-1-azoniabicyclo[2.2.2]octane chloride dihydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1440783: Experimental Crystal Structure Determination

2016

Related Article: Agris Be̅rziņš and Andris Actiņš|2016|Cryst.Growth Des.|16|1643|doi:10.1021/acs.cgd.5b01736

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1236-tetrahydropyridin-4-yl)-13-dihydro-2H-benzimidazol-2-one ethanol solvateExperimental 3D Coordinates
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CCDC 1046557: Experimental Crystal Structure Determination

2015

Related Article: Agris Be̅rziņš , Edgars Skarbulis , and Andris Actiņš|2015|Cryst.Growth Des.|15|2337|doi:10.1021/acs.cgd.5b00138

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters1-(1-(4-(4-fluorophenyl)-4-oxobutyl)piperidin-4-yl)-13-dihydro-2H-benzimidazol-2-one dihydrateExperimental 3D Coordinates
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CCDC 1453864: Experimental Crystal Structure Determination

2017

Related Article: Toms Rekis, Agris Be̅rziņš, Dia̅na Džabijeva, Ilva Nakurte, Lia̅na Orola, and Andris Actiņš|2017|Cryst.Growth Des.|17|1814|doi:10.1021/acs.cgd.6b01780

Space GroupCrystallography6-(2-(4-methoxyphenyl)-1H-benzimidazol-5-yl)-5-methyl-45-dihydropyridazin-3(2H)-one monohydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1510417: Experimental Crystal Structure Determination

2017

Related Article: Artis Kons, Agris Be̅rziņš, Andris Actinš|2017|Cryst.Growth Des.|17|1146|doi:10.1021/acs.cgd.6b01534

Space GroupCrystallographyCrystal SystemCrystal Structure3-(hydroxy(bis(2-methylphenyl))methyl)-1-azoniabicyclo[2.2.2]octane chlorideCell ParametersExperimental 3D Coordinates
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CCDC 1046553: Experimental Crystal Structure Determination

2015

Related Article: Agris Be̅rziņš , Edgars Skarbulis , and Andris Actiņš|2015|Cryst.Growth Des.|15|2337|doi:10.1021/acs.cgd.5b00138

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters1-(1-(4-(4-fluorophenyl)-4-oxobutyl)piperidin-4-yl)-13-dihydro-2H-benzimidazol-2-one benzyl alcohol solvateExperimental 3D Coordinates
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CCDC 1510415: Experimental Crystal Structure Determination

2017

Related Article: Artis Kons, Agris Be̅rziņš, Andris Actinš|2017|Cryst.Growth Des.|17|1146|doi:10.1021/acs.cgd.6b01534

Space GroupCrystallographyCrystal SystemCrystal Structure3-(hydroxy(bis(2-methylphenyl))methyl)-1-azoniabicyclo[2.2.2]octane chlorideCell ParametersExperimental 3D Coordinates
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CCDC 1510409: Experimental Crystal Structure Determination

2017

Related Article: Artis Kons, Agris Be̅rziņš, Andris Actinš|2017|Cryst.Growth Des.|17|1146|doi:10.1021/acs.cgd.6b01534

Space GroupCrystallographyCrystal SystemCrystal Structure3-(hydroxy(bis(2-methylphenyl))methyl)-1-azoniabicyclo[2.2.2]octane chlorideCell ParametersExperimental 3D Coordinates
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CCDC 1510410: Experimental Crystal Structure Determination

2017

Related Article: Artis Kons, Agris Be̅rziņš, Andris Actinš|2017|Cryst.Growth Des.|17|1146|doi:10.1021/acs.cgd.6b01534

Space GroupCrystallographyCrystal SystemCrystal Structure3-(hydroxy(bis(2-methylphenyl))methyl)-1-azoniabicyclo[2.2.2]octane chlorideCell ParametersExperimental 3D Coordinates
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CCDC 1046550: Experimental Crystal Structure Determination

2015

Related Article: Agris Be̅rziņš , Edgars Skarbulis , and Andris Actiņš|2015|Cryst.Growth Des.|15|2337|doi:10.1021/acs.cgd.5b00138

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters1-(1-[4-(4-Fluorophenyl)-4-oxobutyl]piperidin-4-yl)-13-dihydro-2H-benzimidazol-2-one methanol solvateExperimental 3D Coordinates
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CCDC 1453863: Experimental Crystal Structure Determination

2017

Related Article: Toms Rekis, Agris Be̅rziņš, Dia̅na Džabijeva, Ilva Nakurte, Lia̅na Orola, and Andris Actiņš|2017|Cryst.Growth Des.|17|1814|doi:10.1021/acs.cgd.6b01780

Space GroupCrystallographyCrystal SystemCrystal Structure(RS)-6-[2-(4-methoxyphenyl)-1H-benzimidazol-5-yl]-5-methyl-45-dihydropyridazin-3(2H)-one monohydrateCell ParametersExperimental 3D Coordinates
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CCDC 1046555: Experimental Crystal Structure Determination

2015

Related Article: Agris Be̅rziņš , Edgars Skarbulis , and Andris Actiņš|2015|Cryst.Growth Des.|15|2337|doi:10.1021/acs.cgd.5b00138

1-(1-(4-(4-fluorophenyl)-4-oxobutyl)piperidin-4-yl)-13-dihydro-2H-benzimidazol-2-oneSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1046556: Experimental Crystal Structure Determination

2015

Related Article: Agris Be̅rziņš , Edgars Skarbulis , and Andris Actiņš|2015|Cryst.Growth Des.|15|2337|doi:10.1021/acs.cgd.5b00138

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters1-(1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl)-13-dihydro-2H-benzimidazol-2-oneExperimental 3D Coordinates
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CCDC 1510411: Experimental Crystal Structure Determination

2017

Related Article: Artis Kons, Agris Be̅rziņš, Andris Actinš|2017|Cryst.Growth Des.|17|1146|doi:10.1021/acs.cgd.6b01534

Space GroupCrystallography3-(hydroxy(bis(2-methylphenyl))methyl)-1-azoniabicyclo[2.2.2]octane chloride monohydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1510413: Experimental Crystal Structure Determination

2017

Related Article: Artis Kons, Agris Be̅rziņš, Andris Actinš|2017|Cryst.Growth Des.|17|1146|doi:10.1021/acs.cgd.6b01534

Space GroupCrystallographyCrystal SystemCrystal Structure3-(hydroxy(bis(2-methylphenyl))methyl)-1-azoniabicyclo[2.2.2]octane chlorideCell ParametersExperimental 3D Coordinates
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CCDC 1523460: Experimental Crystal Structure Determination

2017

Related Article: Toms Rekis, Agris Be̅rziņš, Lia̅na Orola Tamás Holczbauer, Andris Actinš, Andreas Seidel-Morgenstern, Heike Lorenz|2017|Cryst.Growth Des.|17|1411|doi:10.1021/acs.cgd.6b01867

Space GroupCrystallographyCrystal SystemCrystal Structure2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamideCell ParametersExperimental 3D Coordinates
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CCDC 1510412: Experimental Crystal Structure Determination

2017

Related Article: Artis Kons, Agris Be̅rziņš, Andris Actinš|2017|Cryst.Growth Des.|17|1146|doi:10.1021/acs.cgd.6b01534

Space GroupCrystallography3-(hydroxy(bis(2-methylphenyl))methyl)-1-azoniabicyclo[2.2.2]octane chloride monohydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1510416: Experimental Crystal Structure Determination

2017

Related Article: Artis Kons, Agris Be̅rziņš, Andris Actinš|2017|Cryst.Growth Des.|17|1146|doi:10.1021/acs.cgd.6b01534

Space GroupCrystallographyCrystal SystemCrystal Structure3-(hydroxy(bis(2-methylphenyl))methyl)-1-azoniabicyclo[2.2.2]octane chlorideCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1523461: Experimental Crystal Structure Determination

2017

Related Article: Toms Rekis, Agris Be̅rziņš, Lia̅na Orola Tamás Holczbauer, Andris Actinš, Andreas Seidel-Morgenstern, Heike Lorenz|2017|Cryst.Growth Des.|17|1411|doi:10.1021/acs.cgd.6b01867

Space GroupCrystallographyCrystal SystemCrystal Structure2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamideCell ParametersExperimental 3D Coordinates
researchProduct