Ethyl (2S,4R)-4-(4-bromo­phen­yl)-2-hydr­oxy-5,10-dioxo-3,4,5,10-tetra­hydro-2H-benzo[g]chromene-2-carboxyl­ate

In the crystal structure of the title compound, C(22)H(17)BrO(6), the quinone ring makes a dihedral angle of 81.84 (3)° with the benzene ring. The chiral C atoms, viz. the ring C atoms bearing the hydr­oxy and bromo­phenyl substituents, exhibit R and S configurations, respectively. The terminal ethy...

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Detalles Bibliográficos
Autores principales: Zhang, Wei, Wang, Yifeng, Zhang, Guangcun, Xu, Xiangsheng
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979899/
https://www.ncbi.nlm.nih.gov/pubmed/21579809
http://dx.doi.org/10.1107/S1600536810001315
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author Zhang, Wei
Wang, Yifeng
Zhang, Guangcun
Xu, Xiangsheng
author_facet Zhang, Wei
Wang, Yifeng
Zhang, Guangcun
Xu, Xiangsheng
author_sort Zhang, Wei
collection PubMed
description In the crystal structure of the title compound, C(22)H(17)BrO(6), the quinone ring makes a dihedral angle of 81.84 (3)° with the benzene ring. The chiral C atoms, viz. the ring C atoms bearing the hydr­oxy and bromo­phenyl substituents, exhibit R and S configurations, respectively. The terminal ethyl group of the –CO(2)CH(2)CH(3) group is disordered over two sets of sites with site-occupancy factors of 0.64 (1) and 0.36 (1). Inter­molecular O—H⋯O inter­actions further stabilize the crystal packing.
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spelling pubmed-29798992010-12-30 Ethyl (2S,4R)-4-(4-bromo­phen­yl)-2-hydr­oxy-5,10-dioxo-3,4,5,10-tetra­hydro-2H-benzo[g]chromene-2-carboxyl­ate Zhang, Wei Wang, Yifeng Zhang, Guangcun Xu, Xiangsheng Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title compound, C(22)H(17)BrO(6), the quinone ring makes a dihedral angle of 81.84 (3)° with the benzene ring. The chiral C atoms, viz. the ring C atoms bearing the hydr­oxy and bromo­phenyl substituents, exhibit R and S configurations, respectively. The terminal ethyl group of the –CO(2)CH(2)CH(3) group is disordered over two sets of sites with site-occupancy factors of 0.64 (1) and 0.36 (1). Inter­molecular O—H⋯O inter­actions further stabilize the crystal packing. International Union of Crystallography 2010-01-16 /pmc/articles/PMC2979899/ /pubmed/21579809 http://dx.doi.org/10.1107/S1600536810001315 Text en © Zhang 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
Zhang, Wei
Wang, Yifeng
Zhang, Guangcun
Xu, Xiangsheng
Ethyl (2S,4R)-4-(4-bromo­phen­yl)-2-hydr­oxy-5,10-dioxo-3,4,5,10-tetra­hydro-2H-benzo[g]chromene-2-carboxyl­ate
title Ethyl (2S,4R)-4-(4-bromo­phen­yl)-2-hydr­oxy-5,10-dioxo-3,4,5,10-tetra­hydro-2H-benzo[g]chromene-2-carboxyl­ate
title_full Ethyl (2S,4R)-4-(4-bromo­phen­yl)-2-hydr­oxy-5,10-dioxo-3,4,5,10-tetra­hydro-2H-benzo[g]chromene-2-carboxyl­ate
title_fullStr Ethyl (2S,4R)-4-(4-bromo­phen­yl)-2-hydr­oxy-5,10-dioxo-3,4,5,10-tetra­hydro-2H-benzo[g]chromene-2-carboxyl­ate
title_full_unstemmed Ethyl (2S,4R)-4-(4-bromo­phen­yl)-2-hydr­oxy-5,10-dioxo-3,4,5,10-tetra­hydro-2H-benzo[g]chromene-2-carboxyl­ate
title_short Ethyl (2S,4R)-4-(4-bromo­phen­yl)-2-hydr­oxy-5,10-dioxo-3,4,5,10-tetra­hydro-2H-benzo[g]chromene-2-carboxyl­ate
title_sort ethyl (2s,4r)-4-(4-bromo­phen­yl)-2-hydr­oxy-5,10-dioxo-3,4,5,10-tetra­hydro-2h-benzo[g]chromene-2-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979899/
https://www.ncbi.nlm.nih.gov/pubmed/21579809
http://dx.doi.org/10.1107/S1600536810001315
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AT wangyifeng ethyl2s4r44bromophenyl2hydroxy510dioxo34510tetrahydro2hbenzogchromene2carboxylate
AT zhangguangcun ethyl2s4r44bromophenyl2hydroxy510dioxo34510tetrahydro2hbenzogchromene2carboxylate
AT xuxiangsheng ethyl2s4r44bromophenyl2hydroxy510dioxo34510tetrahydro2hbenzogchromene2carboxylate

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