Information card for entry 2237211

Structure parameters

• Chemical name: 2-{[(Dimethylamino)methylidene]amino}-5-nitrobenzonitrile
• Formula: C10 H10 N4 O2
• Calculated formula: C10 H10 N4 O2
• SMILES: O=N(=O)c1cc(c(/N=C/N(C)C)cc1)C#N
• Title of publication: 2-{[(Dimethylamino)methylidene]amino}-5-nitrobenzonitrile
• Authors of publication: Saad, Syed Muhammad; Haider, Syed Moazzam; Perveen, Shahnaz; Khan, Khalid M.; Yousuf, Sammer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o75
• a: 7.6496 ± 0.0011 Å
• b: 13.0693 ± 0.0019 Å
• c: 11.1617 ± 0.0017 Å
• α: 90°
• β: 106.475 ± 0.003°
• γ: 90°
• Cell volume: 1070.1 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• 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
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes