Information card for entry 2216303

Structure parameters

• Chemical name: N'-[4-(Diethylamino)benzylidene]pyrazine-2-carbohydrazide dihydrate
• Formula: C16 H23 N5 O3
• Calculated formula: C16 H23 N5 O3
• SMILES: O=C(NN=Cc1ccc(N(CC)CC)cc1)c1nccnc1.O.O
• Title of publication: <i>N</i>'-[4-(Diethylamino)benzylidene]pyrazine-2-carbohydrazide dihydrate
• Authors of publication: Xue-Fang Shi; Zhi-Yong Xing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4723 - o4723
• a: 13.422 ± 0.003 Å
• b: 10.761 ± 0.003 Å
• c: 12.82 ± 0.003 Å
• α: 90°
• β: 109.158 ± 0.004°
• γ: 90°
• Cell volume: 1749.1 ± 0.7 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: 0.1087
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes