Abstract
In the crystal of the title compound, C9H9ClFN3S, the molecules are interconnected by N—H⋯S and N—H⋯F hydrogen bonds. There are two different N—H⋯S hydrogen bond: the stronger one links molecules into infinite chains along the b axis with graph-set motif C(4), while the weaker N—H⋯S hydrogen bond combines with the previous one into an R 2 2(8) network. Moreover, the chains are linked into layers parallel to (102) by weak N—H⋯F hydrogen bonds, which form an R 2 2(22) ring motif. In addition, there are also weak π–π interactions between the benzene rings of adjacent molecules [centroid–centroid distance = 3.8997 (15) Å].
Highlights
In the crystal of the title compound, C9H9ClFN3S, the molecules are interconnected by N—H S and N—H F
Symmetry codes: (i) −x+1, y+1/2, −z+1/2; (ii) −x+1, y−1/2, −z+1/2; (iii) −x+2, −y+1, −z
Summary
R factor = 0.044; wR factor = 0.128; data-to-parameter ratio = 17.4. In the crystal of the title compound, C9H9ClFN3S, the molecules are interconnected by N—H S and N—H F hydrogen bonds. There are two different N—H S hydrogen bond: the stronger one links molecules into infinite chains along the b axis with graph-set motif C(4), while the weaker. N—H S hydrogen bond combines with the previous one into an R22(8) network. The chains are linked into layers parallel to (102) by weak N—H F hydrogen bonds, which form an R22(22) ring motif. There are weak – interactions between the benzene rings of adjacent molecules [centroid–centroid distance = 3.8997 (15) Å]
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