1-Phenyl-1H-pyrazole-4-carbaldehyde

In the title mol­ecule, C(10)H(8)N(2)O, the five- and six-membered rings form a dihedral angle of 10.14 (9)°. The aldehyde group is almost coplanar with the pyrazole ring to which it is connected [O—C—C—C torsion angle = −179.35 (17)°]. In the crystal, inversion dimers are linked by four C—H⋯O inter...

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Autores principales: Asiri, Abdullah M., Faidallah, Hassan M., Sobahi, Tariq R., Ng, Seik Weng, Tiekink, Edward R. T.
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/PMC3344042/
https://www.ncbi.nlm.nih.gov/pubmed/22589951
http://dx.doi.org/10.1107/S1600536812010896
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author Asiri, Abdullah M.
Faidallah, Hassan M.
Sobahi, Tariq R.
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet Asiri, Abdullah M.
Faidallah, Hassan M.
Sobahi, Tariq R.
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort Asiri, Abdullah M.
collection PubMed
description In the title mol­ecule, C(10)H(8)N(2)O, the five- and six-membered rings form a dihedral angle of 10.14 (9)°. The aldehyde group is almost coplanar with the pyrazole ring to which it is connected [O—C—C—C torsion angle = −179.35 (17)°]. In the crystal, inversion dimers are linked by four C—H⋯O inter­actions as the carbonyl O atom accepts two such bonds. The dimeric aggregates are linked into supra­molecular layers in the ac plane by C—H⋯π and π–π [ring centroid(pyrrole)⋯ring centroid(phen­yl) = 3.8058 (10) Å] inter­actions.
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spelling pubmed-33440422012-05-15 1-Phenyl-1H-pyrazole-4-carbaldehyde Asiri, Abdullah M. Faidallah, Hassan M. Sobahi, Tariq R. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(10)H(8)N(2)O, the five- and six-membered rings form a dihedral angle of 10.14 (9)°. The aldehyde group is almost coplanar with the pyrazole ring to which it is connected [O—C—C—C torsion angle = −179.35 (17)°]. In the crystal, inversion dimers are linked by four C—H⋯O inter­actions as the carbonyl O atom accepts two such bonds. The dimeric aggregates are linked into supra­molecular layers in the ac plane by C—H⋯π and π–π [ring centroid(pyrrole)⋯ring centroid(phen­yl) = 3.8058 (10) Å] inter­actions. International Union of Crystallography 2012-03-17 /pmc/articles/PMC3344042/ /pubmed/22589951 http://dx.doi.org/10.1107/S1600536812010896 Text en © Asiri 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
Asiri, Abdullah M.
Faidallah, Hassan M.
Sobahi, Tariq R.
Ng, Seik Weng
Tiekink, Edward R. T.
1-Phenyl-1H-pyrazole-4-carbaldehyde
title 1-Phenyl-1H-pyrazole-4-carbaldehyde
title_full 1-Phenyl-1H-pyrazole-4-carbaldehyde
title_fullStr 1-Phenyl-1H-pyrazole-4-carbaldehyde
title_full_unstemmed 1-Phenyl-1H-pyrazole-4-carbaldehyde
title_short 1-Phenyl-1H-pyrazole-4-carbaldehyde
title_sort 1-phenyl-1h-pyrazole-4-carbaldehyde
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344042/
https://www.ncbi.nlm.nih.gov/pubmed/22589951
http://dx.doi.org/10.1107/S1600536812010896
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