In the title mol-ecule, C(9)H(6)Cl(2)N(2)S, the mean planes of the benzene and thia-zole rings make a dihedral angle of 54.18 (8)°. In the crystal, mol-ecules are joined into dimers with an R(2) (2)(8) ring motif by pairs of N-H⋯N hydrogen bonds. These dimers are linked by C-H⋯Cl inter-actions into layers parallel to (011). The thia-zole rings form columns along the c-axis direction, with a centroid-centroid separation of 3.8581 (9) Å, indicating π-π inter-actions. An intra-molecular C-H⋯S contact also occurs.
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http://dx.doi.org/10.1107/S1600536812035301 | DOI Listing |
Acta Crystallogr E Crystallogr Commun
March 2024
Institut für Anorganische und Analytische Chemie, Technische Universität Braunschweig, Hagenring 30, D-38106 Braunschweig, Germany.
In the title compound, CHNOS, the inter-planar angle between the pyrazole and benzo-thia-zole rings is 3.31 (7)°. In the three-dimensional mol-ecular packing, the carbonyl oxygen acts as acceptor to four C-H donors (with one H⋯O as short as 2.
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November 2023
Department of Applied Chemistry, Dongduk Women's University, Seoul 136-714, Republic of Korea.
In the title mol-ecule, CHNOS, the C5=C6 double bond in the central enone group adopts a configuration. The dihedral angle between planes of the thia-zole and pyrazole rings is 6.6 (2)°.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
September 2023
Institut für Anorganische und Analytische Chemie, Technische Universität Braunschweig, Hagenring 30, D-38106 Braunschweig, Germany.
In the structure of the title compound, CHNO, the triazole ring exhibits inter-planar angles of 63.86 (2) and 76.96 (2)° with the phenyl and benzo-thia-zole planes, respectively.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
June 2022
Department of Chemistry, M.M.A.M.C (Tribhuvan University), Biratnagar, Nepal.
In the title compound, CHClNOS, the thia-zole ring subtends dihedral angles of 13.12 (14) and 43.79 (14) ° with the attached chloro-phenyl and phenyl rings, respectively.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
August 2022
Chemistry Department, Faculty of Applied Science, Taiz University, Taiz, Yemen.
In the title mol-ecule, CHClNOS, the thia-zole ring is planar while the pyrimidine unit fused to it adopts a screw-boat conformation. In the crystal, thick sheets parallel to the plane are formed by N-H⋯N, C-H⋯N and C-H⋯O hydrogen bonds together with π-π inter-actions between the formamido carbonyl groups and the thia-zole rings. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯H (30.
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