(E)-3,4-Dihydroxybenzaldehyde 4-methylthiosemicarbazone

(E)-3,4-Dihydroxybenzaldehyde 4-methylthiosemicarbazone

The title compound, C9H11N3O2S, adopts an E configuration with respect to the C=N bond. The molecule is approximately planar, with an r.m.s. deviation from the mean plane through all 15 non-H atoms of 0.152 Å; the dihedral angle between the benzene ring plane and the least-squares...

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Main Authors: Jim Simpson, Yang Farina
Format: Article
Language:English
Published: International Union of Crystallography 2008-11-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536808034326
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spelling doaj-79e142696458420aaeb47aa5ca44e6a72020-11-25T00:12:32ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682008-11-016411o2184o218510.1107/S1600536808034326(E)-3,4-Dihydroxybenzaldehyde 4-methylthiosemicarbazoneJim SimpsonYang FarinaThe title compound, C9H11N3O2S, adopts an E configuration with respect to the C=N bond. The molecule is approximately planar, with an r.m.s. deviation from the mean plane through all 15 non-H atoms of 0.152 Å; the dihedral angle between the benzene ring plane and the least-squares plane through the thiosemicarbazone unit is 12.48 (7)°. A weak intramolecular N—H...N interaction contributes to the planarity of the semicarbazone unit. Centrosymmetric pairs of O—H...O and N—H...S hydrogen bonds form chains along c, generating R22(10) and R22(8) ring motifs, respectively. In the crystal structure, these chains are further linked by intermolecular O—H...S and C—H...O interactions, forming stacks down the c axis.http://scripts.iucr.org/cgi-bin/paper?S1600536808034326
collection DOAJ
language English
format Article
sources DOAJ
author Jim Simpson
Yang Farina
spellingShingle Jim Simpson
Yang Farina
(E)-3,4-Dihydroxybenzaldehyde 4-methylthiosemicarbazone
Acta Crystallographica Section E
author_facet Jim Simpson
Yang Farina
author_sort Jim Simpson
title (E)-3,4-Dihydroxybenzaldehyde 4-methylthiosemicarbazone
title_short (E)-3,4-Dihydroxybenzaldehyde 4-methylthiosemicarbazone
title_full (E)-3,4-Dihydroxybenzaldehyde 4-methylthiosemicarbazone
title_fullStr (E)-3,4-Dihydroxybenzaldehyde 4-methylthiosemicarbazone
title_full_unstemmed (E)-3,4-Dihydroxybenzaldehyde 4-methylthiosemicarbazone
title_sort (e)-3,4-dihydroxybenzaldehyde 4-methylthiosemicarbazone
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2008-11-01
description The title compound, C9H11N3O2S, adopts an E configuration with respect to the C=N bond. The molecule is approximately planar, with an r.m.s. deviation from the mean plane through all 15 non-H atoms of 0.152 Å; the dihedral angle between the benzene ring plane and the least-squares plane through the thiosemicarbazone unit is 12.48 (7)°. A weak intramolecular N—H...N interaction contributes to the planarity of the semicarbazone unit. Centrosymmetric pairs of O—H...O and N—H...S hydrogen bonds form chains along c, generating R22(10) and R22(8) ring motifs, respectively. In the crystal structure, these chains are further linked by intermolecular O—H...S and C—H...O interactions, forming stacks down the c axis.
url http://scripts.iucr.org/cgi-bin/paper?S1600536808034326
work_keys_str_mv AT jimsimpson e34dihydroxybenzaldehyde4methylthiosemicarbazone
AT yangfarina e34dihydroxybenzaldehyde4methylthiosemicarbazone
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