Information card for entry 8101525

Structure parameters

• Formula: C17 H14 Cl N3 O2 S
• Calculated formula: C17 H14 Cl N3 O2 S
• SMILES: Clc1c(/C=C/c2n(c3c(n2)cccc3)CSC)cc(N(=O)=O)cc1
• Title of publication: Crystal structure of (E)-2-(2-chloro-5-nitrostyryl)-1-(methylthio) methylbenzimidazole, C~17~H~14~ClN~3~O~2~S
• Authors of publication: Perazza, Maribelliz; Rivera, Luis A.; Cordero, Marisol; Huang, Songping D.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 3
• Pages of publication: 389 - 390
• a: 9.354 ± 0.004 Å
• b: 10.099 ± 0.004 Å
• c: 10.774 ± 0.002 Å
• α: 74.92 ± 0.02°
• β: 64.51 ± 0.02°
• γ: 64.31 ± 0.03°
• Cell volume: 824.5 ± 0.6 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.074
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No