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Crystal structure of 4-bromo-phenyl-2-oxo-2H-chromene-3-carboxyl-ate.

ABSTRACT: In the title compound, C16H9BrO4, the coumarin ring system is approximately planar, with an r.m.s deviation of the ten fitted non-H atoms of 0.031?Å, and forms a dihedral angle of 25.85?(10)° with the bromo-benzene ring. The carbonyl atoms are syn. In the crystal, mol-ecules are connected along [001] via C-H?O inter-actions, forming C(6) chains. Neighbouring C(6) chains are connected via several ?-? inter-actions [range of centroid-centroid distances = 3.7254?(15)-3.7716?(16)?Å], leading to sheets propagating in the bc plane.

SUBMITTER: Devarajegowda HC 

PROVIDER: S-EPMC4420041 | biostudies-literature | 2015 May

REPOSITORIES: biostudies-literature

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Crystal structure of 4-bromo-phenyl-2-oxo-2H-chromene-3-carboxyl-ate.

Devarajegowda H C HC   Suchetan P A PA   Srinivasa H T HT   Sreenivasa S S   Palakshamurthy B S BS  

Acta crystallographica. Section E, Crystallographic communications 20150422 Pt 5

In the title compound, C16H9BrO4, the coumarin ring system is approximately planar, with an r.m.s deviation of the ten fitted non-H atoms of 0.031 Å, and forms a dihedral angle of 25.85 (10)° with the bromo-benzene ring. The carbonyl atoms are syn. In the crystal, mol-ecules are connected along [001] via C-H⋯O inter-actions, forming C(6) chains. Neighbouring C(6) chains are connected via several π-π inter-actions [range of centroid-centroid distances = 3.7254 (15)-3.7716 (16) Å], leading to shee  ...[more]

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