3-(4-Chloro­phen­yl)-1-phenyl-1H-pyrazole-4-carbaldehyde

In the title compound, C(16)H(11)ClN(2)O, the chloro-substituted phenyl ring is disordered over two positions with refined site occupancies of 0.503 (2) and 0.497 (2). The dihedral angle between the pyrazole and phenyl rings is 7.93 (7)°. The pyrazole ring also forms dihedral angles of 24.43 (9)° an...

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Autores principales: Fun, Hoong-Kun, Arshad, Suhana, Malladi, Shridhar, Selvam, R., Isloor, Arun M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151838/
https://www.ncbi.nlm.nih.gov/pubmed/21837157
http://dx.doi.org/10.1107/S1600536811023713
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author Fun, Hoong-Kun
Arshad, Suhana
Malladi, Shridhar
Selvam, R.
Isloor, Arun M.
author_facet Fun, Hoong-Kun
Arshad, Suhana
Malladi, Shridhar
Selvam, R.
Isloor, Arun M.
author_sort Fun, Hoong-Kun
collection PubMed
description In the title compound, C(16)H(11)ClN(2)O, the chloro-substituted phenyl ring is disordered over two positions with refined site occupancies of 0.503 (2) and 0.497 (2). The dihedral angle between the pyrazole and phenyl rings is 7.93 (7)°. The pyrazole ring also forms dihedral angles of 24.43 (9)° and 28.67 (9)° with the disordered chloro-substituted benzene ring. In the crystal, mol­ecules are linked by inter­molecular C—H⋯O hydrogen bonds, generating R (2) (1)(7) and R (2) (2)(10) ring motifs. π–π inter­actions between the pyrazole and phenyl rings [centroid–centroid distance = 3.758 (1) Å] further stabilize the crystal structure.
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spelling pubmed-31518382011-08-11 3-(4-Chloro­phen­yl)-1-phenyl-1H-pyrazole-4-carbaldehyde Fun, Hoong-Kun Arshad, Suhana Malladi, Shridhar Selvam, R. Isloor, Arun M. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(11)ClN(2)O, the chloro-substituted phenyl ring is disordered over two positions with refined site occupancies of 0.503 (2) and 0.497 (2). The dihedral angle between the pyrazole and phenyl rings is 7.93 (7)°. The pyrazole ring also forms dihedral angles of 24.43 (9)° and 28.67 (9)° with the disordered chloro-substituted benzene ring. In the crystal, mol­ecules are linked by inter­molecular C—H⋯O hydrogen bonds, generating R (2) (1)(7) and R (2) (2)(10) ring motifs. π–π inter­actions between the pyrazole and phenyl rings [centroid–centroid distance = 3.758 (1) Å] further stabilize the crystal structure. International Union of Crystallography 2011-06-25 /pmc/articles/PMC3151838/ /pubmed/21837157 http://dx.doi.org/10.1107/S1600536811023713 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
Arshad, Suhana
Malladi, Shridhar
Selvam, R.
Isloor, Arun M.
3-(4-Chloro­phen­yl)-1-phenyl-1H-pyrazole-4-carbaldehyde
title 3-(4-Chloro­phen­yl)-1-phenyl-1H-pyrazole-4-carbaldehyde
title_full 3-(4-Chloro­phen­yl)-1-phenyl-1H-pyrazole-4-carbaldehyde
title_fullStr 3-(4-Chloro­phen­yl)-1-phenyl-1H-pyrazole-4-carbaldehyde
title_full_unstemmed 3-(4-Chloro­phen­yl)-1-phenyl-1H-pyrazole-4-carbaldehyde
title_short 3-(4-Chloro­phen­yl)-1-phenyl-1H-pyrazole-4-carbaldehyde
title_sort 3-(4-chloro­phen­yl)-1-phenyl-1h-pyrazole-4-carbaldehyde
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151838/
https://www.ncbi.nlm.nih.gov/pubmed/21837157
http://dx.doi.org/10.1107/S1600536811023713
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AT selvamr 34chlorophenyl1phenyl1hpyrazole4carbaldehyde
AT isloorarunm 34chlorophenyl1phenyl1hpyrazole4carbaldehyde

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