Cargando…

Crystal structure of (Z)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate

In the title di­thio­carbazate compound, C(17)H(19)N(3)S(2), the central CN(2)S(2) residue is essentially planar (r.m.s. deviation = 0.0288 Å) and forms dihedral angles of 9.77 (8) and 77.47 (7)° with the substituted-pyridyl and p-tolyl rings, respectively, indicating a highly twisted mol­ecule; the...

Descripción completa

Detalles Bibliográficos
Autores principales: Ravoof, Thahira Begum S. A., Tiekink, Edward R. T., Omar, Siti Aminah, Begum, Sharifa Zaithun, Tahir, Mohamed I. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719984/
https://www.ncbi.nlm.nih.gov/pubmed/26870503
http://dx.doi.org/10.1107/S205698901502407X
_version_ 1782411017572057088
author Ravoof, Thahira Begum S. A.
Tiekink, Edward R. T.
Omar, Siti Aminah
Begum, Sharifa Zaithun
Tahir, Mohamed I. M.
author_facet Ravoof, Thahira Begum S. A.
Tiekink, Edward R. T.
Omar, Siti Aminah
Begum, Sharifa Zaithun
Tahir, Mohamed I. M.
author_sort Ravoof, Thahira Begum S. A.
collection PubMed
description In the title di­thio­carbazate compound, C(17)H(19)N(3)S(2), the central CN(2)S(2) residue is essentially planar (r.m.s. deviation = 0.0288 Å) and forms dihedral angles of 9.77 (8) and 77.47 (7)° with the substituted-pyridyl and p-tolyl rings, respectively, indicating a highly twisted mol­ecule; the dihedral angle between the rings is 85.56 (8)°. The configuration about the C=N bond is Z, which allows for the formation of an intra­molecular N—H⋯N(pyrid­yl) hydrogen bond. The packing features tolyl-methyl-C—H⋯N(imine), pyridyl-C—H⋯π(tol­yl) and π–π inter­actions [between pyridyl rings with a distance = 3.7946 (13) Å], which generates jagged supra­molecular layers that stack along the b axis with no directional inter­actions between them.
format Online
Article
Text
id pubmed-4719984
institution National Center for Biotechnology Information
language English
publishDate 2015
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-47199842016-02-11 Crystal structure of (Z)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate Ravoof, Thahira Begum S. A. Tiekink, Edward R. T. Omar, Siti Aminah Begum, Sharifa Zaithun Tahir, Mohamed I. M. Acta Crystallogr E Crystallogr Commun Data Reports In the title di­thio­carbazate compound, C(17)H(19)N(3)S(2), the central CN(2)S(2) residue is essentially planar (r.m.s. deviation = 0.0288 Å) and forms dihedral angles of 9.77 (8) and 77.47 (7)° with the substituted-pyridyl and p-tolyl rings, respectively, indicating a highly twisted mol­ecule; the dihedral angle between the rings is 85.56 (8)°. The configuration about the C=N bond is Z, which allows for the formation of an intra­molecular N—H⋯N(pyrid­yl) hydrogen bond. The packing features tolyl-methyl-C—H⋯N(imine), pyridyl-C—H⋯π(tol­yl) and π–π inter­actions [between pyridyl rings with a distance = 3.7946 (13) Å], which generates jagged supra­molecular layers that stack along the b axis with no directional inter­actions between them. International Union of Crystallography 2015-12-19 /pmc/articles/PMC4719984/ /pubmed/26870503 http://dx.doi.org/10.1107/S205698901502407X Text en © Ravoof et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Ravoof, Thahira Begum S. A.
Tiekink, Edward R. T.
Omar, Siti Aminah
Begum, Sharifa Zaithun
Tahir, Mohamed I. M.
Crystal structure of (Z)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate
title Crystal structure of (Z)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate
title_full Crystal structure of (Z)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate
title_fullStr Crystal structure of (Z)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate
title_full_unstemmed Crystal structure of (Z)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate
title_short Crystal structure of (Z)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate
title_sort crystal structure of (z)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719984/
https://www.ncbi.nlm.nih.gov/pubmed/26870503
http://dx.doi.org/10.1107/S205698901502407X
work_keys_str_mv AT ravoofthahirabegumsa crystalstructureofz4methylbenzyl315methylpyridin2ylethylidenedithiocarbazate
AT tiekinkedwardrt crystalstructureofz4methylbenzyl315methylpyridin2ylethylidenedithiocarbazate
AT omarsitiaminah crystalstructureofz4methylbenzyl315methylpyridin2ylethylidenedithiocarbazate
AT begumsharifazaithun crystalstructureofz4methylbenzyl315methylpyridin2ylethylidenedithiocarbazate
AT tahirmohamedim crystalstructureofz4methylbenzyl315methylpyridin2ylethylidenedithiocarbazate