5-Chloro-3,6-dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one

In the title compound, C(14)H(11)ClN(2)O(2), two independent mol­ecules (A and B) comprise the asymmetric unit with the main difference between them being the relative orientation of the pendent phenyl ring with respect to the fused-ring system [dihedral angles = 8.32 (8)° (A) and 28.32 (8)° (B)]. I...

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Autores principales: Asiri, Abdullah M., Faidallah, Hassan M., Alamry, Khalid 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/PMC3394042/
https://www.ncbi.nlm.nih.gov/pubmed/22798907
http://dx.doi.org/10.1107/S1600536812028528
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author Asiri, Abdullah M.
Faidallah, Hassan M.
Alamry, Khalid A.
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet Asiri, Abdullah M.
Faidallah, Hassan M.
Alamry, Khalid A.
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort Asiri, Abdullah M.
collection PubMed
description In the title compound, C(14)H(11)ClN(2)O(2), two independent mol­ecules (A and B) comprise the asymmetric unit with the main difference between them being the relative orientation of the pendent phenyl ring with respect to the fused-ring system [dihedral angles = 8.32 (8)° (A) and 28.32 (8)° (B)]. In the crystal, the A mol­ecules are connected into a linear supra­molecular chain along the a axis via C—H⋯O inter­actions and linked to this via C—H⋯Cl inter­actions are the B mol­ecules. The chains are connected into layers in the ab plane by π–π inter­actions between pyrazole (A) and pyran (B) rings, and between pyrazole (B) and pyran (A) rings [centroid–centroid distances = 3.5442 (11) and 3.4022 (10) Å, respectively].
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spelling pubmed-33940422012-07-13 5-Chloro-3,6-dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one Asiri, Abdullah M. Faidallah, Hassan M. Alamry, Khalid A. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(14)H(11)ClN(2)O(2), two independent mol­ecules (A and B) comprise the asymmetric unit with the main difference between them being the relative orientation of the pendent phenyl ring with respect to the fused-ring system [dihedral angles = 8.32 (8)° (A) and 28.32 (8)° (B)]. In the crystal, the A mol­ecules are connected into a linear supra­molecular chain along the a axis via C—H⋯O inter­actions and linked to this via C—H⋯Cl inter­actions are the B mol­ecules. The chains are connected into layers in the ab plane by π–π inter­actions between pyrazole (A) and pyran (B) rings, and between pyrazole (B) and pyran (A) rings [centroid–centroid distances = 3.5442 (11) and 3.4022 (10) Å, respectively]. International Union of Crystallography 2012-06-30 /pmc/articles/PMC3394042/ /pubmed/22798907 http://dx.doi.org/10.1107/S1600536812028528 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.
Alamry, Khalid A.
Ng, Seik Weng
Tiekink, Edward R. T.
5-Chloro-3,6-dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one
title 5-Chloro-3,6-dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one
title_full 5-Chloro-3,6-dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one
title_fullStr 5-Chloro-3,6-dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one
title_full_unstemmed 5-Chloro-3,6-dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one
title_short 5-Chloro-3,6-dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one
title_sort 5-chloro-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/PMC3394042/
https://www.ncbi.nlm.nih.gov/pubmed/22798907
http://dx.doi.org/10.1107/S1600536812028528
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AT alamrykhalida 5chloro36dimethyl1phenyl1h4hpyrano23cpyrazol4one
AT ngseikweng 5chloro36dimethyl1phenyl1h4hpyrano23cpyrazol4one
AT tiekinkedwardrt 5chloro36dimethyl1phenyl1h4hpyrano23cpyrazol4one

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