Abstract
The benzimidazolone part of the molecule of the title compound, C15H21N3O3, is almost planar (r.m.s. deviation = 0.007 Å) with its mean plane aligned at a dihedral angle of 10.4 (3)° with respect to the mean plane of the nitro substituent. In the crystal, two molecules are disposed about a center of inversion, generating an N—H⋯O hydrogen-bonded cyclic dimer with R 2 2(8) graph-set motif.
Highlights
The benzimidazolone part of the molecule of the title compound, C15H21N3O3, is almost planar (r.m.s. deviation = 0.007 A ) with its mean plane aligned at a dihedral angle of 10.4 (3) with respect to the mean plane of the nitro substituent
Two molecules are disposed about a center of inversion, generating an N—HÁ Á ÁO hydrogenbonded cyclic dimer with R22(8) graph-set motif
H atoms treated by a mixture of independent and constrained refinement
Summary
Kandri Rodi,a Natalie Saffon,b El Mokhtar Essassic and Seik Weng Ngd*. Key indicators: single-crystal X-ray study; T = 295 K; mean (C–C) = 0.004 A; R factor = 0.055; wR factor = 0.144; data-to-parameter ratio = 15.8. The benzimidazolone part of the molecule of the title compound, C15H21N3O3, is almost planar (r.m.s. deviation = 0.007 A ) with its mean plane aligned at a dihedral angle of 10.4 (3) with respect to the mean plane of the nitro substituent. Two molecules are disposed about a center of inversion, generating an N—HÁ Á ÁO hydrogenbonded cyclic dimer with R22(8) graph-set motif. Related literature For the crystal structure of 1-isopropenyl-1H-benzimidazol2(3H)-one, see: Saber et al (2010). For graph-set notation, see: Etter (1990)
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