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3-Methyl-5-oxo-4-(2-phenyl­hydrazinyl­idene)-4,5-dihydro-1H-pyrazole-1-carbothio­amide

In the title compound, C(11)H(11)N(5)OS, the pyrazole ring is approximately planar, with a maximum deviation of 0.010 (2) Å. The dihedral angles between the benzene ring and the pyrazole and carbothio­amide groups are 5.42 (9) and 10.61 (18)°, respectively. An intra­molecular N—H⋯O hydrogen bond gen...

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Autores principales: Fun, Hoong-Kun, Asik, Safra Izuani Jama, Razak, Ibrahim Abdul, Shetty, Shobhitha, Kalluraya, Balakrishna
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099837/
https://www.ncbi.nlm.nih.gov/pubmed/21754198
http://dx.doi.org/10.1107/S1600536811009779
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author Fun, Hoong-Kun
Asik, Safra Izuani Jama
Razak, Ibrahim Abdul
Shetty, Shobhitha
Kalluraya, Balakrishna
author_facet Fun, Hoong-Kun
Asik, Safra Izuani Jama
Razak, Ibrahim Abdul
Shetty, Shobhitha
Kalluraya, Balakrishna
author_sort Fun, Hoong-Kun
collection PubMed
description In the title compound, C(11)H(11)N(5)OS, the pyrazole ring is approximately planar, with a maximum deviation of 0.010 (2) Å. The dihedral angles between the benzene ring and the pyrazole and carbothio­amide groups are 5.42 (9) and 10.61 (18)°, respectively. An intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are connected by inter­molecular N—H⋯O and C—H⋯S hydrogen bonds, forming R (2) (2)(12) ring motifs. In addition, there is a π–π stacking inter­action [centroid–centroid distance = 3.5188 (11) Å] between the pyrazole and benzene rings. These inter­actions link the mol­ecules into infinite chains along [001].
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spelling pubmed-30998372011-07-13 3-Methyl-5-oxo-4-(2-phenyl­hydrazinyl­idene)-4,5-dihydro-1H-pyrazole-1-carbothio­amide Fun, Hoong-Kun Asik, Safra Izuani Jama Razak, Ibrahim Abdul Shetty, Shobhitha Kalluraya, Balakrishna Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(11)H(11)N(5)OS, the pyrazole ring is approximately planar, with a maximum deviation of 0.010 (2) Å. The dihedral angles between the benzene ring and the pyrazole and carbothio­amide groups are 5.42 (9) and 10.61 (18)°, respectively. An intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are connected by inter­molecular N—H⋯O and C—H⋯S hydrogen bonds, forming R (2) (2)(12) ring motifs. In addition, there is a π–π stacking inter­action [centroid–centroid distance = 3.5188 (11) Å] between the pyrazole and benzene rings. These inter­actions link the mol­ecules into infinite chains along [001]. International Union of Crystallography 2011-03-19 /pmc/articles/PMC3099837/ /pubmed/21754198 http://dx.doi.org/10.1107/S1600536811009779 Text en © Fun et al. 2011 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
Asik, Safra Izuani Jama
Razak, Ibrahim Abdul
Shetty, Shobhitha
Kalluraya, Balakrishna
3-Methyl-5-oxo-4-(2-phenyl­hydrazinyl­idene)-4,5-dihydro-1H-pyrazole-1-carbothio­amide
title 3-Methyl-5-oxo-4-(2-phenyl­hydrazinyl­idene)-4,5-dihydro-1H-pyrazole-1-carbothio­amide
title_full 3-Methyl-5-oxo-4-(2-phenyl­hydrazinyl­idene)-4,5-dihydro-1H-pyrazole-1-carbothio­amide
title_fullStr 3-Methyl-5-oxo-4-(2-phenyl­hydrazinyl­idene)-4,5-dihydro-1H-pyrazole-1-carbothio­amide
title_full_unstemmed 3-Methyl-5-oxo-4-(2-phenyl­hydrazinyl­idene)-4,5-dihydro-1H-pyrazole-1-carbothio­amide
title_short 3-Methyl-5-oxo-4-(2-phenyl­hydrazinyl­idene)-4,5-dihydro-1H-pyrazole-1-carbothio­amide
title_sort 3-methyl-5-oxo-4-(2-phenyl­hydrazinyl­idene)-4,5-dihydro-1h-pyrazole-1-carbothio­amide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099837/
https://www.ncbi.nlm.nih.gov/pubmed/21754198
http://dx.doi.org/10.1107/S1600536811009779
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