Title of article
A very short O—H⋯O hydrogen bond in the structure of clozapinium hydrogen bis(3,5-dinitrobenzoate)
Author/Authors
Shaibah, Mohammed A. E. Department of Studies in Chemistry - University of Mysore, India , Kavitha, Channappa N. Department of Chemistry - Maharani's Science College for Women, India , Yathirajan, Hemmige S. Department of Studies in Chemistry - University of Mysore, India , Foro, Sabine Institute of Materials Science - Darmstadt University of Technology, Germany , Glidewell, Christopher School of Chemistry - University of St Andrews, UK
Pages
13
From page
1
To page
13
Abstract
In the title salt {systematic name: 4-[6-chloro-2,9-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl]-1-methylpiperazin-1-ium 3,5-dinitrobenzoate–3,5-dinitrobenzic acid (1/1)}, C18H20ClN4+·C7H3N2O6−·C7H4N2O6, there is a very short, asymmetric, O—H⋯O hydrogen bond [O⋯O = 2.453 (3) Å] within the anion. The oxygen atoms of one of the nitro groups of the anion are disordered over two sets of sites having occupancies of 0.56 (3) and 0.44 (3). The fused tricyclic portion of the cation adopts a butterfly conformation, with a dihedral angle of 45.59 (6)° between the planes of the two aryl rings. In the crystal, a combination of O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds links the component species into a three-dimensional framework. Comparisons are made with the structures of some related compounds.
Keywords
supramolecular assembly , clozapine , crystal structure , molecular conformation , hydrogen bonding , very short hydrogen bonds
Journal title
Acta Crystallographica Section E: Crystallographic Communications
Serial Year
2020
Record number
2622858
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