Fun Hoong-Kun, Shahani Tara, Kalluraya Balakrishna
Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 20;66(Pt 11):o2818-9. doi: 10.1107/S1600536810040493.
In the title compound, C(17)H(11)Br(3)N(2)O(3), the whole mol-ecule is disordered over two positions with a refined occupancy ratio of 0.770 (5):0.230 (5). In the major component, the 1,2,3-oxadiazo-lidine ring is essentially planar [maximum deviation = 0.017 (6) Å] and makes dihedral angles of 22.5 (3) and 70.2 (3)° with the 4-bromo-phenyl and phenyl rings, respectively. In the minor component, the corresponding values are 18.9 (11) and 84.9 (12)°. In the crystal, inter-molecular C-H⋯Br hydrogen bonds link the mol-ecules into ribbons along [010]. There is a short O⋯N contact [2.83 (3) Å] in the minor component. In the major component, the mol-ecular structure is stabilized by an intra-molecular C-H⋯O hydrogen bond, which forms an S(6) ring motif.
在标题化合物C(17)H(11)Br(3)N(2)O(3)中，整个分子在两个位置上无序，精修占有率比为0.770 (5):0.230 (5)。在主要组分中，1,2,3-恶二唑烷环基本呈平面状[最大偏差 = 0.017 (6) Å]，与4-溴苯环和苯环的二面角分别为22.5 (3)°和70.2 (3)°。在次要组分中，相应的值分别为18.9 (11)°和84.9 (12)°。在晶体中，分子间C—H⋯Br氢键将分子沿[010]方向连接成带状。在次要组分中有一个短的O⋯N接触[2.83 (3) Å]。在主要组分中，分子结构通过分子内C—H⋯O氢键得以稳定，该氢键形成一个S(6)环模式。
