Information card for entry 8100103

Structure parameters

• Formula: C21 H20 N4 S2
• Calculated formula: C21 H20 N4 S2
• SMILES: s1c(nc(c1c1n(c2ccccc2)c(SCCC)nn1)C)c1ccccc1
• Title of publication: Crystal structure of 4-methyl-2-phenyl-5-[4-phenyl-5-(propylsulfanyl)- 4H-1,2,4-triazol-3-yl]-1,3-thiazole, C~21~H~20~N4S~2~
• Authors of publication: Ramazani, Ali; Souldozi, Ali; Morsali, Ali; Jalilian, Amir Reza
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 3
• Pages of publication: 247 - 248
• a: 8.6099 ± 0.0014 Å
• b: 10.5465 ± 0.0016 Å
• c: 12.3721 ± 0.0019 Å
• α: 114.766 ± 0.003°
• β: 97.987 ± 0.003°
• γ: 98.308 ± 0.003°
• Cell volume: 984.2 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No