3,6-Dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one

The title compound, C(14)H(12)N(2)O(2), is almost planar with an r.m.s. deviation for all non-H atoms of 0.038 Å. The observed planarity is rationalized in terms of a close intra­molecular C—H⋯O inter­action. Supra­molecular layers, two mol­ecules thick and with a step topology, are formed in the cr...

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Autores principales: Asiri, Abdullah M., Faidallah, Hassan M., Hameed, Salem A., 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/PMC3344066/
https://www.ncbi.nlm.nih.gov/pubmed/22589975
http://dx.doi.org/10.1107/S1600536812011348
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author Asiri, Abdullah M.
Faidallah, Hassan M.
Hameed, Salem A.
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet Asiri, Abdullah M.
Faidallah, Hassan M.
Hameed, Salem A.
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort Asiri, Abdullah M.
collection PubMed
description The title compound, C(14)H(12)N(2)O(2), is almost planar with an r.m.s. deviation for all non-H atoms of 0.038 Å. The observed planarity is rationalized in terms of a close intra­molecular C—H⋯O inter­action. Supra­molecular layers, two mol­ecules thick and with a step topology, are formed in the crystal packing via C—H⋯O contacts involving the carbonyl O atom, which accepts two such bonds, and π–π inter­actions between the components of the fused ring system and the phenyl ring of inversion-related mol­ecules [centroid–centroid distances = 3.6819 (13) and 3.6759 (12) Å].
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spelling pubmed-33440662012-05-15 3,6-Dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one Asiri, Abdullah M. Faidallah, Hassan M. Hameed, Salem A. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(14)H(12)N(2)O(2), is almost planar with an r.m.s. deviation for all non-H atoms of 0.038 Å. The observed planarity is rationalized in terms of a close intra­molecular C—H⋯O inter­action. Supra­molecular layers, two mol­ecules thick and with a step topology, are formed in the crystal packing via C—H⋯O contacts involving the carbonyl O atom, which accepts two such bonds, and π–π inter­actions between the components of the fused ring system and the phenyl ring of inversion-related mol­ecules [centroid–centroid distances = 3.6819 (13) and 3.6759 (12) Å]. International Union of Crystallography 2012-03-21 /pmc/articles/PMC3344066/ /pubmed/22589975 http://dx.doi.org/10.1107/S1600536812011348 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.
Hameed, Salem A.
Ng, Seik Weng
Tiekink, Edward R. T.
3,6-Dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one
title 3,6-Dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one
title_full 3,6-Dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one
title_fullStr 3,6-Dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one
title_full_unstemmed 3,6-Dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one
title_short 3,6-Dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one
title_sort 3,6-dimethyl-1-phenyl-1h,4h-pyrano[2,3-c]pyrazol-4-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344066/
https://www.ncbi.nlm.nih.gov/pubmed/22589975
http://dx.doi.org/10.1107/S1600536812011348
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