Abstract
The asymmetric unit of the title compound, C11H12BrClN2OS, consists of two crystallographically independent molecules. In each molecule, the butanoylthiourea unit is nearly planar, with maximum deviations of 0.1292 (19) and 0.3352 (18) Å from the mean plane defined by nine non-H atoms, and is twisted relative to the terminal benzene ring with dihedral angles of 69.26 (7) and 82.41 (7)°. An intramolecular N—H⋯O hydrogen bond generates an S(6) ring motif in each butanoylthiourea unit. In the crystal, N—H⋯O hydrogen bonds link the two independent molecules together, forming an R 2 2(12) ring motif. The molecules are further connected into a tape along the c axis via N—H⋯S and C—H⋯S hydrogen bonds.
Highlights
The asymmetric unit of the title compound, C11H12BrClN2OS, consists of two crystallographically independent molecules
The butanoylthiourea unit is nearly planar, with maximum deviations of 0.1292 (19) and 0.3352 (18) Å from the mean plane defined by nine non-H atoms, and is twisted relative to the terminal benzene ring with dihedral angles of
Symmetry codes: (i) x, −y+1/2, z−1/2; (ii) x, −y+1/2, z+1/2; (iii) −x+2, −y+1, −z+1
Summary
Refinement a Department of Chemical Sciences, Faculty of Science and Technology, Universiti. R factor = 0.031; wR factor = 0.067; data-to-parameter ratio = 28.5. The asymmetric unit of the title compound, C11H12BrClN2OS, consists of two crystallographically independent molecules. The butanoylthiourea unit is nearly planar, with maximum deviations of 0.1292 (19) and 0.3352 (18) Å from the mean plane defined by nine non-H atoms, and is twisted relative to the terminal benzene ring with dihedral angles of. An intramolecular N—H O hydrogen bond generates an S(6) ring motif in each butanoylthiourea unit. N—H O hydrogen bonds link the two independent molecules together, forming an R22(12). The molecules are further connected into a tape along the c axis via N—H S and C—H S hydrogen bonds
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