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3-(5-Nitro-2-fur-yl)-1-phenyl-prop-2-yn-1-one.

ABSTRACT: In the title compound, C(13)H(7)NO(4), the 2-furyl ring is essentially planar, with a maximum deviation of 0.004?(1)?Å. It is inclined at an angle of 11.69?(4)° to the benzene ring. The nitro group is slightly twisted out of the plane of the 2-furyl ring, with a dihedral angle of 5.72?(8)°. There is a short O?C contact of 2.8562?(8)?Å (symmetry code: -x, -y, 2 - z). In the crystal packing, mol-ecules are linked via a pair of inter-molecular C-H?O hydrogen bonds, giving rise to an R(2) (2)(10) ring motif. Mol-ecules are further linked into two-dimensional networks parallel to [100] via other inter-molecular C-H?O hydrogen bonds. The crystal structure is consolidated by C-H?? inter-actions.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3009355 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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3-(5-Nitro-2-fur-yl)-1-phenyl-prop-2-yn-1-one.

Fun Hoong-Kun HK   Quah Ching Kheng CK   Nithinchandra   Kalluraya Balakrishna B  

Acta crystallographica. Section E, Structure reports online 20101031 Pt 11

In the title compound, C(13)H(7)NO(4), the 2-furyl ring is essentially planar, with a maximum deviation of 0.004 (1) Å. It is inclined at an angle of 11.69 (4)° to the benzene ring. The nitro group is slightly twisted out of the plane of the 2-furyl ring, with a dihedral angle of 5.72 (8)°. There is a short O⋯C contact of 2.8562 (8) Å (symmetry code: -x, -y, 2 - z). In the crystal packing, mol-ecules are linked via a pair of inter-molecular C-H⋯O hydrogen bonds, giving rise to an R(2) (2)(10) ri  ...[more]