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Ethyl (2S,4R)-4-(4-bromo-phen-yl)-2-hydr-oxy-5,10-dioxo-3,4,5,10-tetra-hydro-2H-benzo[g]chromene-2-carboxyl-ate.

ABSTRACT: 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 hydr-oxy and bromo-phenyl 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). Inter-molecular O-H?O inter-actions further stabilize the crystal packing.

SUBMITTER: Zhang W

PROVIDER: S-EPMC2979899 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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Ethyl (2S,4R)-4-(4-bromo-phen-yl)-2-hydr-oxy-5,10-dioxo-3,4,5,10-tetra-hydro-2H-benzo[g]chromene-2-carboxyl-ate.

Zhang Wei W Wang Yifeng Y Zhang Guangcun G Xu Xiangsheng X

Acta crystallographica. Section E, Structure reports online 20100116 Pt 2

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 hydr-oxy and bromo-phenyl 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). Inter-molecular O-H⋯O inter-actions further stabilize the crystal packi ...[more]

PMID: 21579809

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