Abstract
The title molecule, C12H9NO2, adopts a trans configuration about the olefinic double bond. The dihedral angle between the naphthalene ring system (r.m.s. deviation = 0.012 Å) and the nitroethenyl group (r.m.s. deviation = 0.032 Å) is 12.66 (5)°. The molecules are linked into a two-dimensional network parallel to the bc plane by C—H⋯O hydrogen bonds. The substituted benzene rings in adjacent networks are stacked with a centroid–centroid distance of 3.6337 (11) Å, indicating π–π interactions.
Highlights
The title molecule, C12H9NO2, adopts a trans configuration about the olefinic double bond
The molecules are linked into a two-dimensional network parallel to the bc plane by C—HÁ Á ÁO hydrogen bonds
The substituted benzene rings in adjacent networks are stacked with a centroid–centroid distance of 3.6337 (11) A, indicating – interactions
Summary
Key indicators: single-crystal X-ray study; T = 93 K; mean (C–C) = 0.002 A; R factor = 0.048; wR factor = 0.099; data-to-parameter ratio = 16.0. The title molecule, C12H9NO2, adopts a trans configuration about the olefinic double bond. The dihedral angle between the naphthalene ring system (r.m.s. deviation = 0.012 A ) and the nitroethenyl group (r.m.s. deviation = 0.032 A ) is 12.66 (5). The molecules are linked into a two-dimensional network parallel to the bc plane by C—HÁ Á ÁO hydrogen bonds. The substituted benzene rings in adjacent networks are stacked with a centroid–centroid distance of 3.6337 (11) A , indicating – interactions. Related literature For general background to -nitroolefins, see: Barrett & Graboski (1986). See: Cheng et al (2007).
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