Information card for entry 2001578

Structure parameters

• Formula: C8 H11 N3 O
• Calculated formula: C8 H11 N3 O
• SMILES: CNC(=O)Nc1ccccc1N
• Title of publication: Structure of <i>N</i>-(2-aminophenyl)-<i>N</i>'-methylurea
• Authors of publication: Jean-Claude, B. J.; Britten, J. F.; Just, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1070 - 1072
• a: 10.3997 ± 0.0014 Å
• b: 4.6395 ± 0.0012 Å
• c: 18.2211 ± 0.0011 Å
• α: 90°
• β: 100.994 ± 0.007°
• γ: 90°
• Cell volume: 863 ± 0.3 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No