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(E)-Dimethyl 2-(6-benzoyl-7-hydr-oxy-4-methoxy-carbonyl-2-oxo-2H-chromen-8-yl)but-2-enedioate.

ABSTRACT: The mol-ecule of the title compound, C(24)H(18)O(10), a previously unknown coumarin derivative, contains methoxy-carbonyl, 2-butenedioate and benzoyl groups aligned at angles of 28.04?(2), 76.89?(3) and 42.48?(13)°, respectively, to the plane of the coumarin ring system. Intra-molecular O-H?O hydrogen bonding between hydr-oxy and carbonyl groups and weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure. The two carbon atoms and attached H atom of the ethylene bond are disordered over two positions, with site occupancy factors of ca 0.9 and 0.1.

SUBMITTER: Baharfar R 

PROVIDER: S-EPMC2962127 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

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(E)-Dimethyl 2-(6-benzoyl-7-hydr-oxy-4-methoxy-carbonyl-2-oxo-2H-chromen-8-yl)but-2-enedioate.

Baharfar Robabeh R   Vahdat S Mohammad SM   Baghbanian S Meysam SM  

Acta crystallographica. Section E, Structure reports online 20080716 Pt 8

The mol-ecule of the title compound, C(24)H(18)O(10), a previously unknown coumarin derivative, contains methoxy-carbonyl, 2-butenedioate and benzoyl groups aligned at angles of 28.04 (2), 76.89 (3) and 42.48 (13)°, respectively, to the plane of the coumarin ring system. Intra-molecular O-H⋯O hydrogen bonding between hydr-oxy and carbonyl groups and weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure. The two carbon atoms and attached H atom of the ethylene bond are d  ...[more]

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