Information card for entry 8103302

Structure parameters

• Formula: C16 H19 N5 O
• Calculated formula: C16 H19 N5 O
• SMILES: O(c1c(/C=N/C(=C(\N)C#N)C#N)ccc(N(CC)CC)c1)C
• Title of publication: Crystal structure of (2Z)-2-amino-3-[(E)-4-(diethylamino)-2-methoxybenzylideneamino]-2-butenedinitrile, C16H19N5O
• Authors of publication: Byung-Soon Kim; Shinya Matsumoto; Young-A Son
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 1
• Pages of publication: 19
• a: 10.9025 ± 0.0002 Å
• b: 12.9499 ± 0.0002 Å
• c: 11.8235 ± 0.0002 Å
• α: 90°
• β: 106.648 ± 0.0007°
• γ: 90°
• Cell volume: 1599.34 ± 0.05 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No