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Crystal structure of 8-eth-oxy-3-(4-nitro-phen-yl)-2H-chromen-2-one.

ABSTRACT: In the title compound, C17H13NO5, the coumarin ring system is essentially planar (r.m.s. deviation = 0.008?Å). The nitro-phenyl ring makes a dihedral angle of 25.27?(9)° with the coumarin ring plane. The nitro group is almost coplanar with the phenyl ring to which it is attached, making a dihedral angle of 4.3?(3)°. The eth-oxy group is inclined to the coumarin ring plane by 4.1?(2)°. Electron delocalization was found at the short bridging C-C bond with a bond length of 1.354?(2)?Å. In the crystal, mol-ecules are linked via C-H?O hydrogen bonds, forming sheets in the bc plane. The sheets are linked via ?-? stacking [centroid-centroid distances = 3.5688?(13) and 3.7514?(13)?Å], forming a three-dimensional structure.

SUBMITTER: Walki S

PROVIDER: S-EPMC4645040 | biostudies-literature | 2015 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of 8-eth-oxy-3-(4-nitro-phen-yl)-2H-chromen-2-one.

Walki Shashikanth S Naveen S S Kenchanna S S Mahadevan K M KM Kumara M N MN Lokanath N K NK

Acta crystallographica. Section E, Crystallographic communications 20151017 Pt 11

In the title compound, C17H13NO5, the coumarin ring system is essentially planar (r.m.s. deviation = 0.008 Å). The nitro-phenyl ring makes a dihedral angle of 25.27 (9)° with the coumarin ring plane. The nitro group is almost coplanar with the phenyl ring to which it is attached, making a dihedral angle of 4.3 (3)°. The eth-oxy group is inclined to the coumarin ring plane by 4.1 (2)°. Electron delocalization was found at the short bridging C-C bond with a bond length of 1.354 (2) Å. In the cryst ...[more]

PMID: 26594565

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