Fun Hoong-Kun, Ooi Chin Wei, Chandrakantha B, Isloor Arun M, Shetty Prakash
Acta Crystallogr Sect E Struct Rep Online. 2012 Jan;68(Pt 1):o89. doi: 10.1107/S1600536811052330. Epub 2011 Dec 10.
In the title compound, C(24)H(20)BrF(2)N(3)O(3)S, the triazole ring (r.m.s. deviation = 0.0107 Å) makes dihedral angles of 28.18 (14), 63.76 (14) and 77.01 (18)°, respectively, with the trimeth-oxy-, bromo-, and difluoro-substituted benzene rings. The C atoms of the meta meth-oxy groups are roughly coplanar with their ring [displacements = -0.289 (4) and 0.083 (7) Å], whereas the C atom of the para group is displaced [1.117 (3) Å]. In the crystal, inversion dimers linked by two pairs of C-H⋯O hydrogen bonds occur. The ring motif of the two hydrogen bonds to their symmetry-generated O-atom acceptors is R(2) (2)(8).
在标题化合物C₂₄H₂₀BrF₂N₃O₃S中，三唑环（均方根偏差 = 0.0107 Å）分别与三甲氧基、溴和二氟取代的苯环形成28.18（14）°、63.76（14）°和77.01（18）°的二面角。间位甲氧基的C原子与其苯环大致共面[位移分别为-0.289（4）和0.083（7）Å]，而对位甲氧基的C原子则有位移[1.117（3）Å]。在晶体中，通过两对C-H⋯O氢键形成了反演二聚体。与它们对称生成的O原子受体形成的两个氢键的环基序为R₂²(8)。
