Information card for entry 2000824

Structure parameters

• Formula: C9 H11 N3 O3
• Calculated formula: C9 H11 N3 O3
• SMILES: O=NN(c1ccc(cc1)OC)C(=O)NC
• 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: 14.232 ± 0.001 Å
• b: 14.232 ± 0.001 Å
• c: 10.169 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2059.7 ± 0.8 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Diffraction radiation wavelength: 1.5405 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No