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Crystal structure and Hirshfeld surface analysis of 2-amino-5-{(1E)-1-[(carbamothioylamino)imino]ethyl}-4-methyl-1,3-thiazol-3-ium chloride monohydrate

Authors :
Elnur Z. Huseynov
Mehmet Akkurt
Ivan Brito
Ajaya Bhattarai
Farid N. Naghiyev
Khammed A. Asadov
Abel M. Maharramov
Source :
Acta Crystallographica Section E: Crystallographic Communications, Vol 79, Iss 9, Pp 808-812 (2023)
Publication Year :
2023
Publisher :
International Union of Crystallography, 2023.

Abstract

In the hydrated title salt, C7H12N5S2+·Cl−·H2O, the asymmetric unit comprises one 2-amino-5-{(1E)-1-[(carbamothioylamino)imino]ethyl}-4-methyl-1,3-thiazol-3-ium cation, one chloride anion and one water molecule of crystallization. The cation is nearly flat (r.m.s. deviation of non-H atoms is 0.0814 Å), with the largest deviation of 0.1484 (14) Å observed for one of the methyl C atoms. In the crystal, the cations are linked by O—H...Cl, N—H...Cl, N—H...O, N—H...S and C—H...S hydrogen bonds, forming a tri-periodic network. The most important contributions to the crystal packing are from H...H (35.4%), S...H/H...S (24.4%), N...H/H...N (8.7%), Cl...H/H...Cl (8.2%) and C...H/H...C (7.7%) interactions.

Details

Language :
English
ISSN :
20569890
Volume :
79
Issue :
9
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
edsdoj.b7578c761afd420181d3dac30ea96ca1
Document Type :
article
Full Text :
https://doi.org/10.1107/S2056989023007090