Saeed Sohail, Rashid Naghmana, Jasinski Jerry P, Butcher Ray J, Rizwan Hussain
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 18;66(Pt 10):o2589. doi: 10.1107/S1600536810036366.
In the title compound, C(12)H(15)N(3)O(3)S, the 4-nitro and carbonyl groups are nearly coplanar with the benzene ring [C-C-N-O = -175.72 (14) and C-C-C-O = 172.75 (14)°]. The diethyl-carbamothioyl group is twisted significantly from the plane of the benzene ring [C-N-C-N = -89.79 (15)°] with the S atom pointing away from each of these groups [C-N-C-S = 91.12 (14)°]. In the crystal, an inter-molecular N-H⋯O hydrogen bond, which forms an infinite polymeric chain along the c axis, and weak C-H⋯O and C-H⋯S hydrogen bonds are observed.
在标题化合物C₁₂H₁₅N₃O₃S中，4-硝基和羰基与苯环几乎共面[C-C-N-O = -175.72 (14)°和C-C-C-O = 172.75 (14)°]。二乙基氨基甲硫酰基与苯环平面显著扭曲[C-N-C-N = -89.79 (15)°]，S原子背离这些基团中的每一个[C-N-C-S = 91.12 (14)°]。在晶体中，观察到分子间N-H⋯O氢键，其沿c轴形成无限聚合链，以及弱C-H⋯O和C-H⋯S氢键。
