Information card for entry 2000825

Structure parameters

• Formula: C14 H21 N3 O2
• Calculated formula: C14 H21 N3 O2
• SMILES: O=NN(C(=O)N(C(C)C)C(C)C)c1ccc(cc1)C
• Title of publication: Structure of <i>N</i>-aryl-<i>N</i>-nitrosoureas
• Authors of publication: Yamaguchi, K.; Matsumura, G.; Tanno, M.; Sueyoshi, S.; Miyata, N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 1051 - 1054
• a: 13.854 ± 0.001 Å
• b: 9.071 ± 0.001 Å
• c: 11.808 ± 0.004 Å
• α: 90°
• β: 92.14 ± 0.01°
• γ: 90°
• Cell volume: 1482.9 ± 0.5 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Diffraction radiation wavelength: 1.5405 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No