0000000000014022

AUTHOR

Edgars Skarbulis

showing 11 related works from this author

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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Benperidola solvātu struktūra, stabilitāte un fāžu pārejas

2013

Darba ietvaros iegūtas vairākas jaunas benperidola polimorfās un solvatomorfās formas – metanola, acetonitrila, etilacetāta solvāti. No monokristālu rentgendifraktometrijas datiem atrasta metanola, etanola un acetonitrila solvāta kristāliskā struktūra. Pētīts solvātu desolvatācijas process un tā produkti, mainot desolvatācijas apstākļus, temperatūru, karsēšanas ātrumu, daļiņu izmēru un iegūšanas veidu. No termogravimetrijas datiem izotermiskā režīmā aprēķināti benperidola dihidrāta un etanola solvāta kinētiskie parametri – reakcijas ātruma konstantes un aktivācijas enerģijas – un analizēta procesu atbilstība biežāk sastopamajiem cietfāzu kinētikas modeļiem.

Ķīmija
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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 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 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 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 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 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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