Anuradha N, Thiruvalluvar A, Mahalinga M, Butcher R J
Acta Crystallogr Sect E Struct Rep Online. 2008 Oct 22;64(Pt 11):o2160. doi: 10.1107/S1600536808033837.
In the title mol-ecule, C(16)H(13)Cl(2)FN(2)OS, the dihedral angle between the thio-phene and benzene rings is 80.34 (12)°. The pyrazoline ring is in an envelope conformation, and the plane through the four coplanar atoms makes dihedral angles of 85.13 (9) and 6.89 (10)° with the thio-phene and benzene rings, respectively. The C and O atoms of the acetyl group are nearly coplanar with the attached pyrazoline ring. In the crystal structure, inversion dimers arise from pairs of inter-molecular C-H⋯O hydrogen bonds. A short inter-molecular Cl⋯S contact of 3.4250 (13) Å is also found.
在标题分子C(16)H(13)Cl(2)FN(2)OS中,噻吩环与苯环之间的二面角为80.34 (12)°。吡唑啉环呈信封构象,通过四个共面原子的平面分别与噻吩环和苯环形成85.13 (9)°和6.89 (10)°的二面角。乙酰基的C原子和O原子与相连的吡唑啉环几乎共面。在晶体结构中,分子间C—H⋯O氢键对形成了反演二聚体。还发现了短的分子间Cl⋯S接触,距离为3.4250 (13) Å。