Polymorphism of Butyrophenones Related to Haloperidol

Azibi, M.; Draguetbrughmans, M.; Bouche, Raymond

doi:10.1002/jps.2600730420

Cited by 7 publications

(11 citation statements)

References 21 publications

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“…From most of the solvents, polymorph I was obtained. In accordance to previous studies, , it was possible to crystallize polymorph II from isopropanol. However, the precipitation of the solid product from isopropanol usually initiated shortly after cooling the solution, and polymorph I was obtained instead.…”

Section: Resultssupporting

confidence: 84%

“…Therefore, the existence of polymorph III as described in the literature has been confirmed, although it is not clear whether it is possible to obtain it as described, because in our study it was obtained only in the desolvation process.…”

Section: Resultssupporting

confidence: 69%

“…In these experiments no new benperidol polymorphs were obtained; see Table S1, Supporting Information. Moreover, in our experiments it was not possible to obtain polymorph III from n -heptane as described in the literature nor from any other solvent. From most of the solvents, polymorph I was obtained.…”

Section: Resultsmentioning

confidence: 99%

“…Nevertheless, besides the already reported solvates DH and S Et , , nine new solvates were obtained in crystallization experiments from methanol, acetonitrile, ethyl acetate, nitromethane, 1,4-dioxane, toluene/ o -xylene, benzyl alcohol, carbon tetrachloride, and chloroform (labeled as S Me , S ACN , S EtOAc , S NM , S DIOX , HH , S Benz , S TCC , and S CLF , respectively). In this study, the first seven of these solvates, as well as the poorly explored solvated forms S Et and DH were characterized using PXRD patterns, DTA/TG analysis, and IR spectra, while their desolvation products were also identified, and the desolvation process was characterized.…”

Section: Resultsmentioning

confidence: 99%

“…It is reported to exist in three polymorphic forms I – III , a dihydrate DH , and an ethanol solvate S Et . These phases have been characterized by powder X-ray diffraction (PXRD) peak positions and melting points, as well as by the IR spectra . The crystal structure, however, has been reported only for polymorph I , which crystallizes in the R 3̅ space group with Z = 18.…”

Section: Introductionmentioning

confidence: 99%

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Structural Characterization and Rationalization of Formation, Stability, and Transformations of Benperidol Solvates

Be̅rziņš

Skarbulis

Actiņš

2015

Crystal Growth & Design

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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 well as by the compensation of an insufficient number of hydrogen bond donor moieties. Analysis of solvate structures, particularly those of isostructural solvates, revealed that both the possible interactions and the size and shape of the solvent molecules were important factors in solvate formation. Stability of the solvate was proved to be associated with the intermolecular interaction energies in the crystal structure. Desolvation studies of benperidol solvates identified two forces determining the polymorph obtained after desolvation: structural similarity with the solvate and the thermodynamic stability.

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Section: Resultssupporting

confidence: 84%

Section: Resultssupporting

confidence: 69%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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