N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[4-(methyl­sulfan­yl)phen­yl]acetamide

In the title compound, C(20)H(21)N(3)O(2)S, the 2,3-dihydro-1H-pyrazole ring is nearly planar (r.m.s. deviation = 0.023 Å) and forms dihedral angles of 16.96 (6) and 38.93 (6)° with the benzene and phenyl rings, respectively. The dihedral angle between the benzene and phenyl rings is 55.54 (6)°. The...

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Autores principales: Fun, Hoong-Kun, Quah, Ching Kheng, Nayak, Prakash S., Narayana, B., Sarojini, B. K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435699/
https://www.ncbi.nlm.nih.gov/pubmed/22969570
http://dx.doi.org/10.1107/S1600536812034605
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author Fun, Hoong-Kun
Quah, Ching Kheng
Nayak, Prakash S.
Narayana, B.
Sarojini, B. K.
author_facet Fun, Hoong-Kun
Quah, Ching Kheng
Nayak, Prakash S.
Narayana, B.
Sarojini, B. K.
author_sort Fun, Hoong-Kun
collection PubMed
description In the title compound, C(20)H(21)N(3)O(2)S, the 2,3-dihydro-1H-pyrazole ring is nearly planar (r.m.s. deviation = 0.023 Å) and forms dihedral angles of 16.96 (6) and 38.93 (6)° with the benzene and phenyl rings, respectively. The dihedral angle between the benzene and phenyl rings is 55.54 (6)°. The mol­ecular conformation is consolidated by an intra­molecular C—H⋯O hydrogen bond, which forms an S(6) ring. In the crystal, inversion dimers linked by pairs of N—H⋯O(p) (p = pyrazole) hydrogen bonds generate R (2) (2)(10) loops. The dimers are linked by C—H⋯O hydrogen bonds into sheets lying parallel to (100).
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spelling pubmed-34356992012-09-11 N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[4-(methyl­sulfan­yl)phen­yl]acetamide Fun, Hoong-Kun Quah, Ching Kheng Nayak, Prakash S. Narayana, B. Sarojini, B. K. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(20)H(21)N(3)O(2)S, the 2,3-dihydro-1H-pyrazole ring is nearly planar (r.m.s. deviation = 0.023 Å) and forms dihedral angles of 16.96 (6) and 38.93 (6)° with the benzene and phenyl rings, respectively. The dihedral angle between the benzene and phenyl rings is 55.54 (6)°. The mol­ecular conformation is consolidated by an intra­molecular C—H⋯O hydrogen bond, which forms an S(6) ring. In the crystal, inversion dimers linked by pairs of N—H⋯O(p) (p = pyrazole) hydrogen bonds generate R (2) (2)(10) loops. The dimers are linked by C—H⋯O hydrogen bonds into sheets lying parallel to (100). International Union of Crystallography 2012-08-11 /pmc/articles/PMC3435699/ /pubmed/22969570 http://dx.doi.org/10.1107/S1600536812034605 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
Nayak, Prakash S.
Narayana, B.
Sarojini, B. K.
N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[4-(methyl­sulfan­yl)phen­yl]acetamide
title N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[4-(methyl­sulfan­yl)phen­yl]acetamide
title_full N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[4-(methyl­sulfan­yl)phen­yl]acetamide
title_fullStr N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[4-(methyl­sulfan­yl)phen­yl]acetamide
title_full_unstemmed N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[4-(methyl­sulfan­yl)phen­yl]acetamide
title_short N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[4-(methyl­sulfan­yl)phen­yl]acetamide
title_sort n-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)-2-[4-(methyl­sulfan­yl)phen­yl]acetamide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435699/
https://www.ncbi.nlm.nih.gov/pubmed/22969570
http://dx.doi.org/10.1107/S1600536812034605
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