Information card for entry 8100968

Structure parameters

• Formula: C9 H8 N2
• Calculated formula: C9 H8 N2
• SMILES: [nH]1cnc(c1)c1ccccc1
• Title of publication: Crystal structure of 4-phenylimidazole, C~9~H~8~N~2~
• Authors of publication: Staples, Richard J.; Sonderegger, Lori H.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 2
• Pages of publication: 313 - 314
• a: 9.4562 ± 0.0006 Å
• b: 12.4669 ± 0.0008 Å
• c: 6.9661 ± 0.0005 Å
• α: 90°
• β: 100.814 ± 0.001°
• γ: 90°
• Cell volume: 806.65 ± 0.09 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No