Abstract
In the title pyrazoline derivative, C14H12ClN3S2, the thiophene ring is disordered over two orientations with a refined site-occupancy ratio of 0.832 (4):0.168 (4). The pyrazoline ring adopts an envelope conformation with the C atom linking the thiophene ring at the flap. The dihedral angles between the benzene ring and the major and minor components of the thiophene ring are 88.6 (3) and 85.6 (15)°, respectively while the dihedral angle between the disorder components of the ring is 3.1 (16)°. The mean plane of the pyrazoline ring makes dihedral angles of 11.86 (13), 80.1 (3) and 83.0 (15)°, respectively, with the benzene ring, and the major and minor components of the thiophene ring. An intramolecular N(amide)—H⋯N(pyrazoline) hydrogen bond generates an S(5) ring motif. In the crystal, molecules are linked by weak C—H⋯S and N(amide)—H⋯S interactions into a tape along [10]. C—H⋯π interactions are also observed.
Highlights
In the title pyrazoline derivative, C14H12ClN3S2, the thiophene ring is disordered over two orientations with a refined siteoccupancy ratio of 0.832 (4):0.168 (4)
The dihedral angles between the benzene ring and the major and minor components of the thiophene ring are 88.6 (3) and 85.6 (15), respectively while the dihedral angle between the disorder components of the ring is 3.1 (16)
Molecules are linked by weak C—HÁ Á ÁS and N(amide)—HÁ Á ÁS interactions into a tape along [101]
Summary
Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.004 A; disorder in main residue; R factor = 0.049; wR factor = 0.138; data-to-parameter ratio = 19.9. The dihedral angles between the benzene ring and the major and minor components of the thiophene ring are 88.6 (3) and 85.6 (15), respectively while the dihedral angle between the disorder components of the ring is 3.1 (16). The mean plane of the pyrazoline ring makes dihedral angles of 11.86 (13), 80.1 (3) and 83.0 (15), respectively, with the benzene ring, and the major and minor components of the thiophene ring. An intramolecular N(amide)—HÁ Á ÁN(pyrazoline) hydrogen bond generates an S(5) ring motif. Molecules are linked by weak C—HÁ Á ÁS and N(amide)—HÁ Á ÁS interactions into a tape along [101].
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