Information card for entry 1542754

Structure parameters

• Common name: (Z)-N-(2-Iodophenyl)-4-nitrobenzimidoyl cyanide
• Chemical name: (<i>Z</i>)-<i>N</i>-(2-Iodophenyl)-4-nitrobenzimidoyl cyanide
• Formula: C14 H8 I N3 O2
• Calculated formula: C14 H8 I N3 O2
• SMILES: Ic1c(/N=C(C#N)/c2ccc(N(=O)=O)cc2)cccc1
• Title of publication: (<i>Z</i>)-<i>N</i>-(2-Iodophenyl)-4-nitrobenzimidoyl cyanide
• Authors of publication: Moreno-Fuquen, Rodolfo; Garcia, Andres C.; Abonia, Rodrigo; Jaramillo-Gómez, Luz M.; Kennedy, Alan R.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 2
• Pages of publication: x160315
• a: 11.962 ± 0.0007 Å
• b: 9.0103 ± 0.0005 Å
• c: 13.2047 ± 0.0008 Å
• α: 90°
• β: 109.893 ± 0.006°
• γ: 90°
• Cell volume: 1338.29 ± 0.14 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• 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: 0.0392
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes