Information card for entry 8100184

Structure parameters

• Formula: C20 H15 Cl N2 O S
• Calculated formula: C20 H15 Cl N2 O S
• SMILES: Clc1ccccc1C(=O)NC(=S)N(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of 3-(2-chlorobenzoyl)-1,1-diphenylthiourea, (C~6~H~5~) ~2~N(CS)(NH)(CO)(C~6~H~4~Cl)
• Authors of publication: Binzet, Gün; Flörke, Ulrich; Külcü, Nevzat; Arslan, Hakan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 395 - 397
• a: 9.9962 ± 0.0008 Å
• b: 12.9112 ± 0.0011 Å
• c: 14.6704 ± 0.0013 Å
• α: 85.568 ± 0.002°
• β: 70.61 ± 0.002°
• γ: 82.639 ± 0.002°
• Cell volume: 1770.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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