Crystal structure and Hirshfeld surface analysis of (Z)-4-chloro-N′-(4-oxo­thia­zol­idin-2-yl­idene)benzene­sulfono­hydrazide monohydrate

The asymmetric unit of the title thia­zole derivative containing a sulfonyl­hydrazinic moiety, C(9)H(8)ClN(3)O(3)S(2)·H(2)O, consists of two independent mol­ecules and two water mol­ecules. The central parts of the mol­ecules are twisted as both the mol­ecules are bent at both the S and N atoms. In...

Descripción completa

Detalles Bibliográficos
Autores principales: Pai, Nikhila, Foro, Sabine, Thimme Gowda, B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218911/
https://www.ncbi.nlm.nih.gov/pubmed/30443382
http://dx.doi.org/10.1107/S2056989018013658
_version_ 1783368546049327104
author Pai, Nikhila
Foro, Sabine
Thimme Gowda, B.
author_facet Pai, Nikhila
Foro, Sabine
Thimme Gowda, B.
author_sort Pai, Nikhila
collection PubMed
description The asymmetric unit of the title thia­zole derivative containing a sulfonyl­hydrazinic moiety, C(9)H(8)ClN(3)O(3)S(2)·H(2)O, consists of two independent mol­ecules and two water mol­ecules. The central parts of the mol­ecules are twisted as both the mol­ecules are bent at both the S and N atoms. In the crystal, N—H⋯N, N—H⋯O, C—H⋯O and O—H⋯O hydrogen-bonding inter­actions connect the mol­ecules, forming layers parallel to the ab plane. Two-dimensional fingerprint plots associated with the Hirshfeld surface show that the largest contributions to the crystal packing come from O⋯H/H⋯O (32.9%) and H⋯H (22.6%) inter­actions.
format Online
Article
Text
id pubmed-6218911
institution National Center for Biotechnology Information
language English
publishDate 2018
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-62189112018-11-15 Crystal structure and Hirshfeld surface analysis of (Z)-4-chloro-N′-(4-oxo­thia­zol­idin-2-yl­idene)benzene­sulfono­hydrazide monohydrate Pai, Nikhila Foro, Sabine Thimme Gowda, B. Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title thia­zole derivative containing a sulfonyl­hydrazinic moiety, C(9)H(8)ClN(3)O(3)S(2)·H(2)O, consists of two independent mol­ecules and two water mol­ecules. The central parts of the mol­ecules are twisted as both the mol­ecules are bent at both the S and N atoms. In the crystal, N—H⋯N, N—H⋯O, C—H⋯O and O—H⋯O hydrogen-bonding inter­actions connect the mol­ecules, forming layers parallel to the ab plane. Two-dimensional fingerprint plots associated with the Hirshfeld surface show that the largest contributions to the crystal packing come from O⋯H/H⋯O (32.9%) and H⋯H (22.6%) inter­actions. International Union of Crystallography 2018-10-12 /pmc/articles/PMC6218911/ /pubmed/30443382 http://dx.doi.org/10.1107/S2056989018013658 Text en © Pai et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Pai, Nikhila
Foro, Sabine
Thimme Gowda, B.
Crystal structure and Hirshfeld surface analysis of (Z)-4-chloro-N′-(4-oxo­thia­zol­idin-2-yl­idene)benzene­sulfono­hydrazide monohydrate
title Crystal structure and Hirshfeld surface analysis of (Z)-4-chloro-N′-(4-oxo­thia­zol­idin-2-yl­idene)benzene­sulfono­hydrazide monohydrate
title_full Crystal structure and Hirshfeld surface analysis of (Z)-4-chloro-N′-(4-oxo­thia­zol­idin-2-yl­idene)benzene­sulfono­hydrazide monohydrate
title_fullStr Crystal structure and Hirshfeld surface analysis of (Z)-4-chloro-N′-(4-oxo­thia­zol­idin-2-yl­idene)benzene­sulfono­hydrazide monohydrate
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of (Z)-4-chloro-N′-(4-oxo­thia­zol­idin-2-yl­idene)benzene­sulfono­hydrazide monohydrate
title_short Crystal structure and Hirshfeld surface analysis of (Z)-4-chloro-N′-(4-oxo­thia­zol­idin-2-yl­idene)benzene­sulfono­hydrazide monohydrate
title_sort crystal structure and hirshfeld surface analysis of (z)-4-chloro-n′-(4-oxo­thia­zol­idin-2-yl­idene)benzene­sulfono­hydrazide monohydrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218911/
https://www.ncbi.nlm.nih.gov/pubmed/30443382
http://dx.doi.org/10.1107/S2056989018013658
work_keys_str_mv AT painikhila crystalstructureandhirshfeldsurfaceanalysisofz4chloron4oxothiazolidin2ylidenebenzenesulfonohydrazidemonohydrate
AT forosabine crystalstructureandhirshfeldsurfaceanalysisofz4chloron4oxothiazolidin2ylidenebenzenesulfonohydrazidemonohydrate
AT thimmegowdab crystalstructureandhirshfeldsurfaceanalysisofz4chloron4oxothiazolidin2ylidenebenzenesulfonohydrazidemonohydrate

Ejemplares similares