Information card for entry 8102459

Structure parameters

• Chemical name: (E)-N'-((7-(diethylamino)-2-oxo-2H-chromen-3-yl) methylene)-2-hydroxybenzohydrazide, C~21~H~21~N~3~O~4~
• Formula: C21 H21 N3 O4
• Calculated formula: C21 H21 N3 O4
• SMILES: o1c(=O)c(cc2ccc(N(CC)CC)cc12)C=NNC(=O)c1ccccc1O
• Title of publication: Crystal structure of (E)-N'-((7-(diethylamino)-2-oxo-2H-chromen-3-yl)methylene)-2-hydroxybenzohydrazide, C21H21N3O4
• Authors of publication: Lu Liang; Wei-Jiang Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 3
• Pages of publication: 413
• a: 10.075 ± 0.002 Å
• b: 21.95 ± 0.004 Å
• c: 8.1866 ± 0.0016 Å
• α: 90°
• β: 90.25 ± 0.03°
• γ: 90°
• Cell volume: 1810.4 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0564
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No