8-Benzoyl-7-hy­droxy-4-methyl-2H-1-benzopyran-2-one monohydrate

In the title compound, C(17)H(12)O(4)·H(2)O, the coumarin ring system is approximately planar with a maximum atomic deviation of 0.011 (2) Å, and is nearly perpendicular to the phenyl ring at a dihedral angle of 86.63 (9)°. In the crystal, mol­ecules are linked by classical O—H⋯O and weak C—H⋯O hydr...

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Detalles Bibliográficos
Autores principales: Yang, Shu-Ping, Han, Li-Jun, Wang, Da-Qi, Chen, Xiao-Yun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011619/
https://www.ncbi.nlm.nih.gov/pubmed/21589478
http://dx.doi.org/10.1107/S1600536810046350
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author Yang, Shu-Ping
Han, Li-Jun
Wang, Da-Qi
Chen, Xiao-Yun
author_facet Yang, Shu-Ping
Han, Li-Jun
Wang, Da-Qi
Chen, Xiao-Yun
author_sort Yang, Shu-Ping
collection PubMed
description In the title compound, C(17)H(12)O(4)·H(2)O, the coumarin ring system is approximately planar with a maximum atomic deviation of 0.011 (2) Å, and is nearly perpendicular to the phenyl ring at a dihedral angle of 86.63 (9)°. In the crystal, mol­ecules are linked by classical O—H⋯O and weak C—H⋯O hydrogen bonds. π–π stacking is also present [centroid–centroid distance = 3.6898 (12) Å].
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spelling pubmed-30116192010-12-30 8-Benzoyl-7-hy­droxy-4-methyl-2H-1-benzopyran-2-one monohydrate Yang, Shu-Ping Han, Li-Jun Wang, Da-Qi Chen, Xiao-Yun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(17)H(12)O(4)·H(2)O, the coumarin ring system is approximately planar with a maximum atomic deviation of 0.011 (2) Å, and is nearly perpendicular to the phenyl ring at a dihedral angle of 86.63 (9)°. In the crystal, mol­ecules are linked by classical O—H⋯O and weak C—H⋯O hydrogen bonds. π–π stacking is also present [centroid–centroid distance = 3.6898 (12) Å]. International Union of Crystallography 2010-11-13 /pmc/articles/PMC3011619/ /pubmed/21589478 http://dx.doi.org/10.1107/S1600536810046350 Text en © Yang et al. 2010 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
Yang, Shu-Ping
Han, Li-Jun
Wang, Da-Qi
Chen, Xiao-Yun
8-Benzoyl-7-hy­droxy-4-methyl-2H-1-benzopyran-2-one monohydrate
title 8-Benzoyl-7-hy­droxy-4-methyl-2H-1-benzopyran-2-one monohydrate
title_full 8-Benzoyl-7-hy­droxy-4-methyl-2H-1-benzopyran-2-one monohydrate
title_fullStr 8-Benzoyl-7-hy­droxy-4-methyl-2H-1-benzopyran-2-one monohydrate
title_full_unstemmed 8-Benzoyl-7-hy­droxy-4-methyl-2H-1-benzopyran-2-one monohydrate
title_short 8-Benzoyl-7-hy­droxy-4-methyl-2H-1-benzopyran-2-one monohydrate
title_sort 8-benzoyl-7-hy­droxy-4-methyl-2h-1-benzopyran-2-one monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011619/
https://www.ncbi.nlm.nih.gov/pubmed/21589478
http://dx.doi.org/10.1107/S1600536810046350
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AT hanlijun 8benzoyl7hydroxy4methyl2h1benzopyran2onemonohydrate
AT wangdaqi 8benzoyl7hydroxy4methyl2h1benzopyran2onemonohydrate
AT chenxiaoyun 8benzoyl7hydroxy4methyl2h1benzopyran2onemonohydrate

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