Information card for entry 2237484

Structure parameters

• Chemical name: (<i>Z</i>)-<i>N</i>-[2-(<i>N</i>'-Hydroxycarbamimidoyl)phenyl]acetamide
• Formula: C9 H11 N3 O2
• Calculated formula: C9 H11 N3 O2
• SMILES: O/N=C(\N)c1c(NC(=O)C)cccc1
• Title of publication: (<i>Z</i>)-<i>N</i>-[2-(<i>N</i>'-Hydroxycarbamimidoyl)phenyl]acetamide
• Authors of publication: Fun, Hoong-Kun; Ooi, Chin Wei; Dinesha; Viveka, S.; Nagaraja, G.K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o370 - o371
• a: 8.7813 ± 0.0012 Å
• b: 9.5432 ± 0.0013 Å
• c: 11.977 ± 0.0015 Å
• α: 80.722 ± 0.002°
• β: 78.531 ± 0.002°
• γ: 70.181 ± 0.002°
• Cell volume: 920.6 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes