Information card for entry 8100857

Structure parameters

• Formula: C20 H15 N3 O2
• Calculated formula: C20 H15 N3 O2
• SMILES: n1c(nn(c1c1c(O)cccc1)c1ccccc1)c1c(O)cccc1
• Title of publication: Crystal structure of 2-[5-(2-hydroxyphenyl)-1-phenyl-1H-1,2,4-triazol- 3-yl]phenol, C~20~H~15~N~3~O~2~
• Authors of publication: Heinz, U.; Sander, J.; Hegetschweiler, K.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 1
• Pages of publication: 113 - 114
• a: 8.109 ± 0.002 Å
• b: 10.052 ± 0.002 Å
• c: 10.287 ± 0.002 Å
• α: 99.92 ± 0.03°
• β: 97.65 ± 0.03°
• γ: 101.81 ± 0.03°
• Cell volume: 796.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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