Information card for entry 2221786

Structure parameters

• Chemical name: (<i>E</i>)-2-{(2-Hydroxynaphthalen-1-yl)methylene}hydrazinecarboxamide
• Formula: C12 H11 N3 O2
• Calculated formula: C12 H11 N3 O2
• SMILES: Oc1c(c2c(cc1)cccc2)/C=N/NC(=O)N
• Title of publication: (<i>E</i>)-2-{(2-Hydroxynaphthalen-1-yl)methylene}hydrazinecarboxamide
• Authors of publication: Hijji, Yousef M.; Oladeinde, Oyebola; Butcher, Ray J.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1111 - o1112
• a: 16.0886 ± 0.0004 Å
• b: 4.729 ± 0.0001 Å
• c: 15.6452 ± 0.0004 Å
• α: 90°
• β: 114.647 ± 0.003°
• γ: 90°
• Cell volume: 1081.89 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes