N,N′-Diisopentyldithiooxamide

Abstract

Key indicators: single-crystal X-ray study; T = 571 K; mean (C-C) = 0.003 Å; R factor = 0.034; wR factor = 0.098; data-to-parameter ratio = 20.6.In the crystal structure of the centrosymmetric dithiooxamide title compound, C 12 H 24 N 2 S 2 , one half-molecule is present in the asymmetric unit and the entire molecule is generated by inversion. As is usual for secondary dithiooxamides, the title compound shows the trans-planar conformation. Crystal packing is mainly supported by intermolecular N-HÁ Á ÁS and C-HÁ Á ÁS interactions developing flat ribbon-like onedimensional arrays. These are stacked vertically throughinteractions of the core frames [regular mean plane distances of 3.659 (1) Å ], and the three-dimensional packing is completed by nonpolar interactions involving the alkyl chains. ExperimentalCrystal data C 12 H 24 N 2 S 2 M r = 260.45 Triclinic, P1 a = 4.7658 (9) Å b = 6.0323 (9) Å c = 14.470 (2) Å = 83.082 (14) = 85.919 (15) = 70.427 (15) V = 388.90 (11) Å 3 Z = 1 Mo K radiation = 0.32 mm À1 T = 571 (2) K 0.58 Â 0.44 Â 0.24 mm Data collection Bruker P4 diffractometer Absorption correction: scan (North et al., 1968) T min = 0.825, T max = 0.924 2093 measured reflections 1523 independent reflections 1344 reflections with I > 2(I) R int = 0.011 3 standard reflections every 197 reflections intensity decay: 2%