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4-(5-Chloro-2-methyl­phen­yl)-1-[2-oxo-5-(trifluoro­meth­oxy)indolin-3-yl­idene]thio­semicarbazide

The asymmetric unit of the title compound, C(17)H(12)ClF(3)N(4)O(2)S, contains two mol­ecules, which differ in their planarity and hydrogen bonding. In one mol­ecule, the 2-oxoindolin (C(8)/N/O A), thio­semicarbazide (N(3)/C/S B) and 5-chloro-2-methyl­phenyl (C(7)/Cl C) units are planar with r.m.s....

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Autores principales: Pervez, Humayun, Iqbal, Mohammad S., Saira, Naveeda, Yaqub, Muhammad, Tahir, M. Nawaz
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979057/
https://www.ncbi.nlm.nih.gov/pubmed/21579211
http://dx.doi.org/10.1107/S1600536810014650
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author Pervez, Humayun
Iqbal, Mohammad S.
Saira, Naveeda
Yaqub, Muhammad
Tahir, M. Nawaz
author_facet Pervez, Humayun
Iqbal, Mohammad S.
Saira, Naveeda
Yaqub, Muhammad
Tahir, M. Nawaz
author_sort Pervez, Humayun
collection PubMed
description The asymmetric unit of the title compound, C(17)H(12)ClF(3)N(4)O(2)S, contains two mol­ecules, which differ in their planarity and hydrogen bonding. In one mol­ecule, the 2-oxoindolin (C(8)/N/O A), thio­semicarbazide (N(3)/C/S B) and 5-chloro-2-methyl­phenyl (C(7)/Cl C) units are planar with r.m.s. deviations of 0.0110, 0.0173 and 0.0259 Å, respectively. The dihedral angles A/B, B/C and A/C are 1.74 (15), 40.70 (13) and 41.00 (11)°, respectively. In the other mol­ecule the deviations are 0.0455, 0.0007 and 0.0143 Å, respectively, and the dihedral angles are 5.01 (14), 4.53 (16) and 3.38 (13)°, respectively. In both mol­ecules, intra­molecular N—H⋯N and N—H⋯O hydrogen bonds form S(5) and S(6) ring motifs, respectively and C—H⋯S interactions occur. In one of the molecules, an intramolecular C—H⋯F interaction is also present. In the crystal, the mol­ecules are linked by N—H⋯O, C—H⋯F, C—H⋯O and N—H⋯S hydrogen bonding, forming a polymeric network.
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spelling pubmed-29790572010-12-30 4-(5-Chloro-2-methyl­phen­yl)-1-[2-oxo-5-(trifluoro­meth­oxy)indolin-3-yl­idene]thio­semicarbazide Pervez, Humayun Iqbal, Mohammad S. Saira, Naveeda Yaqub, Muhammad Tahir, M. Nawaz Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(17)H(12)ClF(3)N(4)O(2)S, contains two mol­ecules, which differ in their planarity and hydrogen bonding. In one mol­ecule, the 2-oxoindolin (C(8)/N/O A), thio­semicarbazide (N(3)/C/S B) and 5-chloro-2-methyl­phenyl (C(7)/Cl C) units are planar with r.m.s. deviations of 0.0110, 0.0173 and 0.0259 Å, respectively. The dihedral angles A/B, B/C and A/C are 1.74 (15), 40.70 (13) and 41.00 (11)°, respectively. In the other mol­ecule the deviations are 0.0455, 0.0007 and 0.0143 Å, respectively, and the dihedral angles are 5.01 (14), 4.53 (16) and 3.38 (13)°, respectively. In both mol­ecules, intra­molecular N—H⋯N and N—H⋯O hydrogen bonds form S(5) and S(6) ring motifs, respectively and C—H⋯S interactions occur. In one of the molecules, an intramolecular C—H⋯F interaction is also present. In the crystal, the mol­ecules are linked by N—H⋯O, C—H⋯F, C—H⋯O and N—H⋯S hydrogen bonding, forming a polymeric network. International Union of Crystallography 2010-04-24 /pmc/articles/PMC2979057/ /pubmed/21579211 http://dx.doi.org/10.1107/S1600536810014650 Text en © Pervez et al. 2010 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
Pervez, Humayun
Iqbal, Mohammad S.
Saira, Naveeda
Yaqub, Muhammad
Tahir, M. Nawaz
4-(5-Chloro-2-methyl­phen­yl)-1-[2-oxo-5-(trifluoro­meth­oxy)indolin-3-yl­idene]thio­semicarbazide
title 4-(5-Chloro-2-methyl­phen­yl)-1-[2-oxo-5-(trifluoro­meth­oxy)indolin-3-yl­idene]thio­semicarbazide
title_full 4-(5-Chloro-2-methyl­phen­yl)-1-[2-oxo-5-(trifluoro­meth­oxy)indolin-3-yl­idene]thio­semicarbazide
title_fullStr 4-(5-Chloro-2-methyl­phen­yl)-1-[2-oxo-5-(trifluoro­meth­oxy)indolin-3-yl­idene]thio­semicarbazide
title_full_unstemmed 4-(5-Chloro-2-methyl­phen­yl)-1-[2-oxo-5-(trifluoro­meth­oxy)indolin-3-yl­idene]thio­semicarbazide
title_short 4-(5-Chloro-2-methyl­phen­yl)-1-[2-oxo-5-(trifluoro­meth­oxy)indolin-3-yl­idene]thio­semicarbazide
title_sort 4-(5-chloro-2-methyl­phen­yl)-1-[2-oxo-5-(trifluoro­meth­oxy)indolin-3-yl­idene]thio­semicarbazide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979057/
https://www.ncbi.nlm.nih.gov/pubmed/21579211
http://dx.doi.org/10.1107/S1600536810014650
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