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)
doi: 10.1107/S2056989018013658
Artikel, Bibliographie
Kurzbeschreibung (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.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2018 |
| Autor(en): | Pai, Nikhila ; Foro, Sabine ; Thimme Gowda, B. |
| Art des Eintrags: | Bibliographie |
| Titel: | Crystal structure and Hirshfeld surface analysis of (Z)-4-chloro-N′-(4-oxothiazolidin-2-ylidene)benzenesulfonohydrazide monohydrate |
| Sprache: | Englisch |
| Publikationsjahr: | November 2018 |
| Verlag: | International Union of Crystallography |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Acta Crystallographica Section E Crystallographic Communications |
| Jahrgang/Volume einer Zeitschrift: | 74 |
| (Heft-)Nummer: | 11 |
| DOI: | 10.1107/S2056989018013658 |
| URL / URN: | https://doi.org/10.1107/S2056989018013658 |
| Kurzbeschreibung (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. |
| Freie Schlagworte: | crystal structure, thiazole derivative, hydrogen bonds, Hirshfeld surface analysis |
| Zusätzliche Informationen: | 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. |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Strukturforschung |
| Hinterlegungsdatum: | 14 Sep 2020 05:35 |
| Letzte Änderung: | 14 Sep 2020 05:35 |
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