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3-(4-Meth-oxy-benzo-yl)-6-nitro-coumarin.

ABSTRACT: In the title coumarin derivative (also known as 2H-chromen-2-one or 2H-1-benzopyran-2-one), C17H11NO6, the coumarin ring system is nearly planar, with a dihedral angle of 3.35?(9)° between the pyrone and the benzene rings. The dihedral angle between the planes formed by the coumarin ring system and the benzene substituent is 54.60?(7)°, clearly showing the non-coplanarity of the whole aromatic system. The crystal studied was a non-merohedral twin; the minor component refined to approximately 0.44.

SUBMITTER: Vazquez-Rodriguez S

PROVIDER: S-EPMC3588552 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

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3-(4-Meth-oxy-benzo-yl)-6-nitro-coumarin.

Vazquez-Rodriguez Saleta S Uriarte Eugenio E Santana Lourdes L

Acta crystallographica. Section E, Structure reports online 20130206 Pt 3

In the title coumarin derivative (also known as 2H-chromen-2-one or 2H-1-benzopyran-2-one), C17H11NO6, the coumarin ring system is nearly planar, with a dihedral angle of 3.35 (9)° between the pyrone and the benzene rings. The dihedral angle between the planes formed by the coumarin ring system and the benzene substituent is 54.60 (7)°, clearly showing the non-coplanarity of the whole aromatic system. The crystal studied was a non-merohedral twin; the minor component refined to approximately 0.4 ...[more]

PMID: 23476538

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