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|Title||Ethyl 5-amino-3-(pyridin-4-yl)-1-(2, 4, 6-trichlorophenyl)-1H-pyrazole-4-carboxylate dimethyl sulfoxide hemisolvate|
The asymmetric unit of the title compound, C 17 H 13 Cl 3 N 4 O 2· 0.5 C 2 H 6 OS, contains two almost identical molecules and one dimethyl sulfoxide (DMSO-d 6) solvent molecule. The pyrazole ring forms dihedral angles of 54.6 (4) and 80.0 (4) in one molecule, and dihedral angles of 54.2 (4) and 81.2 (4) in the other molecule, with the directly attached pyridine and trichlorophenyl rings, respectively. The dihedral angles of the pyridine and trichlorophenyl rings are 51.2 (4) and 52.0 (4), respectively. The crystal packing is characterized by intra-and intermolecular hydrogen bonds. The crystal is a nonmerohedral twin with a contribution of 0.488 (1) for the minor twin component. The terminal ethyl group of one molecule and the S atom of DMSO are disordered over two sites.
|Published in||Acta Crystallographica Section E: Structure Reports Online|
|Series||Volume: 68, Number: Pt 3|
|Publisher||International Union of Crystallography|
|Item link||Item Link|
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