Abstract
In the title compound, C12H15N3O3S, 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 diethylcarbamothioyl 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 intermolecular 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.
Highlights
In the title compound, C12H15N3O3S, the 4-nitro and carbonyl groups are nearly coplanar with the benzene ring [C—C—N—
H atoms treated by a mixture of independent and constrained refinement max = 0.25 e Å3
R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger
Summary
Butcherc and Hussain Rizwand a Department of Chemistry, Research Complex, Allama Iqbal Open University, Islamabad, Pakistan, bDepartment of Chemistry, Keene State College, 229 Main. H atoms treated by a mixture of independent and constrained refinement max = 0.25 e Å3. R factor = 0.040; wR factor = 0.115; data-to-parameter ratio = 15.7. Symmetry codes: (i) x; y þ 32; z þ 12; (ii) x; y þ 32; z 12. C12H15N3O3S, the 4-nitro and carbonyl groups are nearly coplanar with the benzene ring [C—C—N—. The diethylcarbamothioyl 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—. For bond-length data, see: Allen et al (1987)
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