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8-Formyl-4-methyl-2-oxo-2H-chromen-7-yl 4-methyl-benzenesulfonate.

ABSTRACT: In the title compound, C(18)H(14)O(6)S, the coumarin ring system is nearly planar, with a maximum out-of-plane deviation of 0.032?(2)?Å. The dihedral angle between the benzene ring and the coumarin ring system is 32.41?(8)°. The crystal packing is stabilized by inter-molecular C-H?O inter-actions, generating C(8), C(10) and C(11) chains and an R(2) (2)(10) ring. The formyl group is disordered over two sets of sites, with occupancies of 0.548?(5) and 0.452?(5).

SUBMITTER: Yuvaraj H

PROVIDER: S-EPMC3120547 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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8-Formyl-4-methyl-2-oxo-2H-chromen-7-yl 4-methyl-benzenesulfonate.

Yuvaraj H H Gayathri D D Kalkhambkar Rajesh G RG Kulkarni Geeta M GM Bapset Rajendra M RM

Acta crystallographica. Section E, Structure reports online 20110525 Pt 6

In the title compound, C(18)H(14)O(6)S, the coumarin ring system is nearly planar, with a maximum out-of-plane deviation of 0.032 (2) Å. The dihedral angle between the benzene ring and the coumarin ring system is 32.41 (8)°. The crystal packing is stabilized by inter-molecular C-H⋯O inter-actions, generating C(8), C(10) and C(11) chains and an R(2) (2)(10) ring. The formyl group is disordered over two sets of sites, with occupancies of 0.548 (5) and 0.452 (5). ...[more]

PMID: 21754878

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