Saeed Aamer, Khera Rasheed Ahmad, Simpson Jim, Stanley Roderick G
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 1;65(Pt 8):o1735-6. doi: 10.1107/S1600536809024672.
With the exception of the C atoms of two of the methyl groups of the tert-butyl substituent, all of the non-H atoms of the title compound, C(12)H(14)ClN(3)O(3)S, lie on a mirror plane. The 2-chloro-5-nitro-phenyl and 2,2-dimethyl-propionyl substituents are, respectively, cis and trans relative to the thio-carbonyl S atom across the two C-N bonds. Intra-molecular N-H⋯O and C-H⋯S hydrogen bonds form S(6) ring motifs, also in the mirror plane. Despite the presence of two N-H subsituents, no inter-molecular hydrogen bonds are observed in the crystal structure. Weak π-π contacts [centroid-centroid distances of 4.2903 (17) Å] involving adjacent aromatic rings link the mol-ecules in a head-to-tail fashion above and below the mol-ecular plane.
除叔丁基取代基两个甲基的碳原子外，标题化合物C(12)H(14)ClN(3)O(3)S的所有非氢原子都位于一个镜面上。2-氯-5-硝基苯基和2,2-二甲基丙酰基取代基分别相对于硫羰基S原子在两个C-N键上呈顺式和反式。分子内N-H⋯O和C-H⋯S氢键形成S(6)环基序，也在镜面上。尽管存在两个N-H取代基，但在晶体结构中未观察到分子间氢键。涉及相邻芳环的弱π-π接触[质心-质心距离为4.2903 (17) Å]以头对头的方式在分子平面上方和下方连接分子。
