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Crystal structure and Hirshfeld surface analysis of (E)-N′-[4-(piperidin-1-yl)benzylidene]arylsulfonohydrazides

Pai, Nikhila ; Foro, Sabine ; Gowda, B. Thimme (2018):
Crystal structure and Hirshfeld surface analysis of (E)-N′-[4-(piperidin-1-yl)benzylidene]arylsulfonohydrazides.
In: Acta Crystallographica Section E Crystallographic Communications, 74 (12), pp. 1826-1832. International Union of Crystallography, ISSN 2056-9890,
DOI: 10.1107/S2056989018016237,
[Article]

Abstract

The crystal structures and Hirshfeld surface analyses of three Schiff bases, namely (E)-N'[4- (piperidin-1-yl) benzylidene] benz enesulf ono hydr azide, C18H21N3O2S, (I), (E)-4-methyl-N'[4- (piperidin-1-yl)benzylidene] benzene-sulfonohydrazide, C19H23N3O2S, (II), and (E)-4-chloro-N'[4-(piperidin-1-yl)benzylidene]benzenesulfonohydrazide, C18H20CIN3O2S, (III), derived from arylsulfonohydrazides and 4-(piperidin-4-yl)benzaldehyde have been analysed to investigate the effect of substituents on the structural parameters. All three structures crystallize in monoclinic crystal systems, in the space groups P2(1)/c for (I) and (II), and C2/c for (III). Compound (III) contains two independent molecules in the asymmetric unit and sixteen molecules per unit cell, while (I) and (II) both have one and four molecules, respectively, in their asymmetric units and unit cells. In all cases, the central part of the molecule is twisted at the S atom. In the crystals, the molecules are linked via N-H center dot center dot center dot O hydrogen bonds, forming chains. Two-dimensional fingerprint plots of various interatomic contacts show that the major contributions are from H center dot center dot center dot H interactions.

Item Type: Article
Erschienen: 2018
Creators: Pai, Nikhila ; Foro, Sabine ; Gowda, B. Thimme
Title: Crystal structure and Hirshfeld surface analysis of (E)-N′-[4-(piperidin-1-yl)benzylidene]arylsulfonohydrazides
Language: English
Abstract:

The crystal structures and Hirshfeld surface analyses of three Schiff bases, namely (E)-N'[4- (piperidin-1-yl) benzylidene] benz enesulf ono hydr azide, C18H21N3O2S, (I), (E)-4-methyl-N'[4- (piperidin-1-yl)benzylidene] benzene-sulfonohydrazide, C19H23N3O2S, (II), and (E)-4-chloro-N'[4-(piperidin-1-yl)benzylidene]benzenesulfonohydrazide, C18H20CIN3O2S, (III), derived from arylsulfonohydrazides and 4-(piperidin-4-yl)benzaldehyde have been analysed to investigate the effect of substituents on the structural parameters. All three structures crystallize in monoclinic crystal systems, in the space groups P2(1)/c for (I) and (II), and C2/c for (III). Compound (III) contains two independent molecules in the asymmetric unit and sixteen molecules per unit cell, while (I) and (II) both have one and four molecules, respectively, in their asymmetric units and unit cells. In all cases, the central part of the molecule is twisted at the S atom. In the crystals, the molecules are linked via N-H center dot center dot center dot O hydrogen bonds, forming chains. Two-dimensional fingerprint plots of various interatomic contacts show that the major contributions are from H center dot center dot center dot H interactions.

Journal or Publication Title: Acta Crystallographica Section E Crystallographic Communications
Journal volume: 74
Number: 12
Publisher: International Union of Crystallography
Uncontrolled Keywords: crystal structure, Hirshfeld surface analysis, fingerprint plots, Schiff bases, (E)-N '[4-(piperidin-1-yl)benzylidene]arylsulfono-hydrazides
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 05:31
DOI: 10.1107/S2056989018016237
Official URL: https://doi.org/10.1107/S2056989018016237
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.

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