Crystal structures of four organic salts of trihexyphenidyl at 90 K
| Autor: | Vinaya, Yeriyur B. Basavaraju, Hemmige S. Yathirajan, Sean Parkin |
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| Jazyk: | angličtina |
| Rok vydání: | 2023 |
| Předmět: | |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 79, Iss 8, Pp 730-735 (2023) |
| Druh dokumentu: | article |
| ISSN: | 2056-9890 20569890 |
| DOI: | 10.1107/S2056989023005960 |
| Popis: | The syntheses and crystal structure studies of four organic salts of trihexyphenidyl, viz., trihexyphenidylium [1-(3-cyclohexyl-3-hydroxy-3-phenylpropyl)piperidin-1-ium] 4-nitrobenzoate, C20H32NO+·C7H4NO4− (I), trihexyphenidylium 4-hydroxybenzoate, C20H32NO+·C7H5O− (II), trihexyphenidylium 4-bromobenzoate, C20H32NO+·C7H4BrO2− (III), and trihexyphenidylium thiophene-2-carboxylate hemihydrate, 2C20H32NO+·2C5H3O2S−·H2O (IV), conducted at 90 K are described. Structures I, II, and III are solvent free with one cation–anion pair per asymmetric unit, while IV crystallizes as a hemihydrate, having two cation–anion pairs and one water of crystallization in its asymmetric unit. Structures I and III exhibit configurational disorder of the cation. Structure IV also exhibits disorder, but only of the thiophene-2-carboxylate anions. Structure II is a non-merohedric twin by a twofold rotation about [403]. The main supramolecular motifs in I, II, and III are similar R22(10) rings between cation–anion pairs, although their packing within the crystals is distinct. As a consequence of having two cation–anion pairs and a water molecule in its asymmetric unit, the packing in IV is by far the most complex of the four structures, its hydrogen-bonding patterns being quite different from I, II, or III. In all the crystals studied, N—H...O, O—H...O, and C—H...O interactions are observed, plus C—H...Br close contacts for III. |
| Databáze: | Directory of Open Access Journals |
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