Information card for entry 2101150

Structure parameters

• Formula: C9 H10 N2
• Calculated formula: C9 H10 N2
• SMILES: N#Cc1ccc(cc1)N(C)C
• Title of publication: Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures
• Authors of publication: Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 363 - 373
• a: 6.304 ± 0.002 Å
• b: 7.937 ± 0.002 Å
• c: 17.203 ± 0.002 Å
• α: 90°
• β: 91.59 ± 0.02°
• γ: 90°
• Cell volume: 860.4 ± 0.4 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No