Korzański Artur, Wagner Paweł, Kubicki Maciej
Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2626. doi: 10.1107/S1600536811036609. Epub 2011 Sep 14.
In the crystal structure of the title compound, C(11)H(9)ClN(4)O(3), pairs of N-H⋯N(imidazole) hydrogen bonds connect the mol-ecules into centrosymmetric dimers, which are further connected by N-H⋯O(carbamo-yl) hydrogen bonds into C(4) chains along [010]. Inter-play of these two kinds of hydrogen bonds connect the mol-ecules into layers perpendicular to [101]. The imidazole [maximum deviation 0.0069 (9) Å] and phenyl rings are inclined at a dihedral angle of 58.44 (6)°; the nitro group is almost coplanar [dihedral angle 5.8 (2)°] with the imidazole ring while the carbamoyl group is almost perpendicular [70.15 (13)°] to it.
在标题化合物C(11)H(9)ClN(4)O(3)的晶体结构中,N-H⋯N(咪唑)氢键对将分子连接成中心对称的二聚体,这些二聚体通过N-H⋯O(氨基甲酰基)氢键进一步沿[010]连接成C(4)链。这两种氢键的相互作用将分子连接成垂直于[101]的层。咪唑环[最大偏差0.0069 (9) Å]与苯环的二面角为58.44 (6)°;硝基与咪唑环几乎共面[二面角5.8 (2)°],而氨基甲酰基与咪唑环几乎垂直[70.15 (13)°]。