Unknown

Dataset Information

0

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

altmetric image

Publications

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]

Similar Datasets

| S-EPMC2969697 | biostudies-literature
| S-EPMC3648281 | biostudies-literature
| S-EPMC2980058 | biostudies-literature
| S-EPMC2967857 | biostudies-other
| S-EPMC2961751 | biostudies-literature
| S-EPMC3414945 | biostudies-literature
| S-EPMC5956320 | biostudies-literature
| S-EPMC2979064 | biostudies-literature
| S-EPMC2977402 | biostudies-literature
| S-EPMC2970470 | biostudies-literature