Information card for entry 2234611

Structure parameters

• Chemical name: 2-Amino-3-[(<i>E</i>)-(2-hydroxy-3-methylbenzylidene)amino]but-2-enedinitrile
• Formula: C12 H10 N4 O
• Calculated formula: C12 H10 N4 O
• SMILES: c1(c(c(ccc1)C)O)/C=N/C(=C(C#N)\N)C#N
• Title of publication: 2-Amino-3-[(<i>E</i>)-(2-hydroxy-3-methylbenzylidene)amino]but-2-enedinitrile
• Authors of publication: Aazam, Elham S.; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1406
• a: 6.9041 ± 0.0006 Å
• b: 11.8791 ± 0.0007 Å
• c: 14.0282 ± 0.0011 Å
• α: 90°
• β: 101.6 ± 0.007°
• γ: 90°
• Cell volume: 1127.02 ± 0.15 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0929
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes