Abstract
In the title 1:1 co-crystal, C10H7BrN4S·C7H5BrO2, the triazolothiadiazole system is approximately planar [with a maximum deviation of 0.030 (4) Å] and forms a dihedral angle of 8.6 (1)° with the bromophenyl ring. In the carboxylic acid molecule, the carboxyl group is rotated by 6.4 (3)° out of the benzene ring plane. The crystal structure features O—H⋯N and C—H⋯O hydrogen bonds, π–π stacking interactions [centroid–centroid distances = 3.713 (2), 3.670 (2) and 3.859 (3) Å] and short S⋯N [2.883 (4) Å] contacts.
Highlights
In the title 1:1 co-crystal, C10H7BrN4SC7H5BrO2, the triazolothiadiazole system is approximately planar [with a maximum deviation of 0.030 (4) Å] and forms a dihedral angle of 8.6 (1) with the bromophenyl ring
RK acknowledges the Department of Science & Technology for the single-crystal X-ray diffractometer sanctioned as a National Facility under project No SR/S2/CMP-47/2003
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)
Summary
Electronics, University of Jammu, Jammu Tawi 180 006, India, and bDepartment of Chemistry, University of Jammu, Jammu Tawi 180 006, India. R factor = 0.048; wR factor = 0.116; data-to-parameter ratio = 15.2. In the title 1:1 co-crystal, C10H7BrN4SC7H5BrO2, the triazolothiadiazole system is approximately planar [with a maximum deviation of 0.030 (4) Å] and forms a dihedral angle of 8.6 (1) with the bromophenyl ring. In the carboxylic acid molecule, the carboxyl group is rotated by 6.4 (3) out of the benzene ring plane. The crystal structure features O—H N and C—H O hydrogen bonds, – stacking interactions [centroid–centroid distances = 3.713 (2), 3.670 (2) and. 3.859 (3) Å] and short S N [2.883 (4) Å] contacts
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