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5-Methyl-1,3-diphenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide

Journal Article · · Acta Crystallographica. Section E
 [1];  [2];  [3];  [3];  [4];  [5]
  1. Univ. of Mysore (India). Dept. of Studies in Physics; DOE/OSTI
  2. Acharya Inst. of Technology, Bangalore (India). Dept. of Physics
  3. Univ. of Mysore (India). Yuvaraja’s College. Dept. of Chemistry
  4. Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS). SER-CAT
  5. Univ. of Mysore (India). Dept. of Studies in Physics
+ Show Author Affiliations

The asymmetric unit of the title compound C25H19N5OS, contains two molecules, A and B. In molecule A, the dihedral angles between the pyrazole ring and the C-bound phenyl group, the N-bound phenyl group and the thiadiazole ring are 32.30 (14), 52.25 (14) and 34.94 (12)°, respectively. The corresponding angles in molecule B are 33.32 (14), 50.67 (15), and 70.30 (12)°, respectively. In the crystal, the A and B molecules are linked by pairs of N—H...N hydrogen bonds, generating R22(8) loops. This dimer linkage is reinforced by two C—H...O hydrogen bonds and one C—H...N hydrogen bond.

Research Organization:
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division
OSTI ID:
1629370
Journal Information:
Acta Crystallographica. Section E, Journal Name: Acta Crystallographica. Section E Journal Issue: 12 Vol. 69; ISSN 1600-5368
Publisher:
International Union of CrystallographyCopyright Statement
Country of Publication:
United States
Language:
English

References (3)

A simple and efficient synthesis of substituted pyrazoles journal August 2013
A short history of SHELX journal December 2007
Structure validation in chemical crystallography journal January 2009

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36 MATERIALS SCIENCE