Crystal structures and hydrogen bonding in the co-crystalline adducts of 3,5-dinitrobenzoic acid with 4-aminosalicylic acid and 2-hydroxy-3-(1H-indol-3-yl)propenoic acid
| Autor: | Graham Smith, Daniel E. Lynch |
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| Jazyk: | angličtina |
| Rok vydání: | 2014 |
| Předmět: | |
| Zdroj: | Acta Crystallographica Section E, Vol 70, Iss 10, Pp 183-187 (2014) |
| Druh dokumentu: | article |
| ISSN: | 1600-5368 16005368 |
| DOI: | 10.1107/S1600536814019898 |
| Popis: | The structures of the co-crystalline adducts of 3,5-dinitrobenzoic acid (3,5-DNBA) with 4-aminosalicylic acid (PASA), the 1:1 partial hydrate, C7H4N2O6·C7H7NO3·0.2H2O, (I), and with 2-hydroxy-3-(1H-indol-3-yl)propenoic acid (HIPA), the 1:1:1 d6-dimethyl sulfoxide solvate, C7H4N2O6·C11H9NO3·C2D6OS, (II), are reported. The crystal substructure of (I) comprises two centrosymmetric hydrogen-bonded R22(8) homodimers, one with 3,5-DNBA, the other with PASA, and an R22(8) 3,5-DNBA–PASA heterodimer. In the crystal, inter-unit amine N—H...O and water O—H...O hydrogen bonds generate a three-dimensional supramolecular structure. In (II), the asymmetric unit consists of the three constituent molecules, which form an essentially planar cyclic hydrogen-bonded heterotrimer unit [graph set R32(17)] through carboxyl, hydroxy and amino groups. These units associate across a crystallographic inversion centre through the HIPA carboxylic acid group in an R22(8) hydrogen-bonding association, giving a zero-dimensional structure lying parallel to (100). In both structures, π–π interactions are present [minimum ring-centroid separations = 3.6471 (18) Å in (I) and 3.5819 (10) Å in (II)]. |
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