Information card for entry 2236199

Structure parameters

• Chemical name: 2-Cyano-5-({4-[<i>N</i>-methyl-<i>N</i>-(2-hydroxyethyl)amino] phenyl}diazenyl)pyridine
• Formula: C15 H15 N5 O
• Calculated formula: C15 H15 N5 O
• SMILES: C(CN(C)c1ccc(cc1)N=Nc1ccc(C#N)nc1)O
• Title of publication: 2-Cyano-5-({4-[<i>N</i>-methyl-<i>N</i>-(2-hydroxyethyl)amino] phenyl}diazenyl)pyridine
• Authors of publication: Centore, Roberto; Piccialli, Vincenzo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3079 - o3080
• a: 17.755 ± 0.008 Å
• b: 7.24 ± 0.004 Å
• c: 11.045 ± 0.008 Å
• α: 90°
• β: 101.07 ± 0.05°
• γ: 90°
• Cell volume: 1393.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.115
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes