Muthukumaran J, Nishandhini M, Chitra S, Muthusubramanian S, Manisankar P, Bhattacharya Suman, Krishna R, Jeyakanthan J
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1421-2. doi: 10.1107/S160053681101751X. Epub 2011 May 14.
In the title compound, C(22)H(19)ClN(4)Se(2), the mean plane of the non-fused selenadiazole ring forms dihedral angles of 54.20 (16)° and 70.48 (11)°, respectively, with the essentially planar [maximum deviations of 0.025 (5) and 0.009 (2) Å, respectively] methyl-phenyl and chloro-phenyl substituents. The tetra-hydro-1,2,3-benzoselenadiazole group is disordered over two sets of sites with a refined occupancy ratio of 0.802 (5):0.198 (5). In the crystal, weak inter-molecular C-H⋯N inter-actions are observed.
在标题化合物C₂₂H₁₉ClN₄Se₂中,未稠合的硒二唑环的平均平面分别与基本呈平面的(最大偏差分别为0.025(5) Å和0.009(2) Å)甲基苯基和氯苯基取代基形成54.20(16)°和70.48(11)°的二面角。四氢-1,2,3-苯并硒二唑基团在两组位置上无序,精制占有率比为0.802(5):0.198(5)。在晶体中,观察到弱的分子间C-H⋯N相互作用。