Information card for entry 8103148

Structure parameters

• Formula: C22 H23 N5 O
• Calculated formula: C22 H23 N5 O
• SMILES: O(c1c(/C=N/C(=C(N)/C#N)C#N)ccc(N(CC)CC)c1)Cc1ccccc1
• Title of publication: Crystal structure of (Z)-2-amino-3-[(E)-2-(benzyloxy)-4-(diethylamino)-benzylideneamino]-2-butenedinitrile, C22H23N5O
• Authors of publication: Byung-Soon Kim; Shinya Matsumoto; Young-A Son
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 428
• a: 14.229 ± 0.0003 Å
• b: 18.1985 ± 0.0003 Å
• c: 16.0679 ± 0.0003 Å
• α: 90°
• β: 101.379 ± 0.0007°
• γ: 90°
• Cell volume: 4078.94 ± 0.13 ų
• Cell temperature: 296.1 K
• Ambient diffraction temperature: 296.1 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 significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No