TU Darmstadt / ULB / TUbiblio

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

Pai, Nikhila ; Foro, Sabine ; Thimme Gowda, B. (2018):
Crystal structure and Hirshfeld surface analysis of (Z)-4-chloro-N′-(4-oxothiazolidin-2-ylidene)benzenesulfonohydrazide monohydrate.
In: Acta Crystallographica Section E Crystallographic Communications, 74 (11), pp. 1569-1573. International Union of Crystallography, ISSN 2056-9890,
DOI: 10.1107/S2056989018013658,
[Article]

Abstract

The asymmetric unit of the title thiazole derivative containing a sulfonylhydrazinic moiety, C9H8ClN3O3S2 center dot H2O, 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 center dot center dot center dot N, N-H center dot center dot center dot O, C-H center dot center dot center dot O and O-H center dot center dot center dot 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 center dot center dot center dot H/H center dot center dot center dot O (32.9%) and H center dot center dot center dot H (22.6%) interactions.

Item Type: Article
Erschienen: 2018
Creators: Pai, Nikhila ; Foro, Sabine ; Thimme Gowda, B.
Title: Crystal structure and Hirshfeld surface analysis of (Z)-4-chloro-N′-(4-oxothiazolidin-2-ylidene)benzenesulfonohydrazide monohydrate
Language: English
Abstract:

The asymmetric unit of the title thiazole derivative containing a sulfonylhydrazinic moiety, C9H8ClN3O3S2 center dot H2O, 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 center dot center dot center dot N, N-H center dot center dot center dot O, C-H center dot center dot center dot O and O-H center dot center dot center dot 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 center dot center dot center dot H/H center dot center dot center dot O (32.9%) and H center dot center dot center dot H (22.6%) interactions.

Journal or Publication Title: Acta Crystallographica Section E Crystallographic Communications
Journal volume: 74
Number: 11
Publisher: International Union of Crystallography
Uncontrolled Keywords: crystal structure, thiazole derivative, hydrogen bonds, Hirshfeld surface analysis
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > Structure Research
Date Deposited: 14 Sep 2020 05:35
DOI: 10.1107/S2056989018013658
Official URL: https://doi.org/10.1107/S2056989018013658
Additional Information:

NP thanks the Department of Science and Technology, Government of India, New Delhi, for a research fellowship under its PURSE Program. BTG thanks the University Grants Commission, Government of India, New Delhi, for a special grant under a UGC-BSR one-time grant to faculty.

Export:
Suche nach Titel in: TUfind oder in Google
Send an inquiry Send an inquiry

Options (only for editors)
Show editorial Details Show editorial Details