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(2E)-2-[(3-Methyl-5-phen­oxy-1-phenyl-1H-pyrazol-4-yl)methyl­idene]hydrazinecarbothio­amide

In the title compound, C(18)H(17)N(5)OS, the mean plane of the pyrazole ring [maximum deviation = 0.0031 (12) Å] forms dihedral angles of 19.6 (4) and 9.3 (5)° with the two disorder components of the N-bound benzene ring (with equal occupancies for the two orientations) and a dihedral angle of 72.58...

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Autores principales: Fun, Hoong-Kun, Quah, Ching Kheng, Shetty, Shobhitha, Kalluraya, Balakrishna, Nitinchandra
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393955/
https://www.ncbi.nlm.nih.gov/pubmed/22798820
http://dx.doi.org/10.1107/S1600536812026931
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author Fun, Hoong-Kun
Quah, Ching Kheng
Shetty, Shobhitha
Kalluraya, Balakrishna
Nitinchandra,
author_facet Fun, Hoong-Kun
Quah, Ching Kheng
Shetty, Shobhitha
Kalluraya, Balakrishna
Nitinchandra,
author_sort Fun, Hoong-Kun
collection PubMed
description In the title compound, C(18)H(17)N(5)OS, the mean plane of the pyrazole ring [maximum deviation = 0.0031 (12) Å] forms dihedral angles of 19.6 (4) and 9.3 (5)° with the two disorder components of the N-bound benzene ring (with equal occupancies for the two orientations) and a dihedral angle of 72.58 (8)° with the C—O-bonded benzene ring. The mol­ecule exists in a trans conformation with respect to the N=C bond [1.2792 (19) Å]. The mol­ecular structure features an intra­molecular C—H⋯O hydrogen bond, forming an S(6) ring. In the crystal, N—H⋯N and N—H⋯S hydrogen bonds result in the formation of zigzag layers lying parallel to (10-1).
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spelling pubmed-33939552012-07-13 (2E)-2-[(3-Methyl-5-phen­oxy-1-phenyl-1H-pyrazol-4-yl)methyl­idene]hydrazinecarbothio­amide Fun, Hoong-Kun Quah, Ching Kheng Shetty, Shobhitha Kalluraya, Balakrishna Nitinchandra, Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(18)H(17)N(5)OS, the mean plane of the pyrazole ring [maximum deviation = 0.0031 (12) Å] forms dihedral angles of 19.6 (4) and 9.3 (5)° with the two disorder components of the N-bound benzene ring (with equal occupancies for the two orientations) and a dihedral angle of 72.58 (8)° with the C—O-bonded benzene ring. The mol­ecule exists in a trans conformation with respect to the N=C bond [1.2792 (19) Å]. The mol­ecular structure features an intra­molecular C—H⋯O hydrogen bond, forming an S(6) ring. In the crystal, N—H⋯N and N—H⋯S hydrogen bonds result in the formation of zigzag layers lying parallel to (10-1). International Union of Crystallography 2012-06-20 /pmc/articles/PMC3393955/ /pubmed/22798820 http://dx.doi.org/10.1107/S1600536812026931 Text en © Fun et al. 2012 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 Organic Papers
Fun, Hoong-Kun
Quah, Ching Kheng
Shetty, Shobhitha
Kalluraya, Balakrishna
Nitinchandra,
(2E)-2-[(3-Methyl-5-phen­oxy-1-phenyl-1H-pyrazol-4-yl)methyl­idene]hydrazinecarbothio­amide
title (2E)-2-[(3-Methyl-5-phen­oxy-1-phenyl-1H-pyrazol-4-yl)methyl­idene]hydrazinecarbothio­amide
title_full (2E)-2-[(3-Methyl-5-phen­oxy-1-phenyl-1H-pyrazol-4-yl)methyl­idene]hydrazinecarbothio­amide
title_fullStr (2E)-2-[(3-Methyl-5-phen­oxy-1-phenyl-1H-pyrazol-4-yl)methyl­idene]hydrazinecarbothio­amide
title_full_unstemmed (2E)-2-[(3-Methyl-5-phen­oxy-1-phenyl-1H-pyrazol-4-yl)methyl­idene]hydrazinecarbothio­amide
title_short (2E)-2-[(3-Methyl-5-phen­oxy-1-phenyl-1H-pyrazol-4-yl)methyl­idene]hydrazinecarbothio­amide
title_sort (2e)-2-[(3-methyl-5-phen­oxy-1-phenyl-1h-pyrazol-4-yl)methyl­idene]hydrazinecarbothio­amide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393955/
https://www.ncbi.nlm.nih.gov/pubmed/22798820
http://dx.doi.org/10.1107/S1600536812026931
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