Information card for entry 2213802

Structure parameters

• Chemical name: (E)-1-[4-(Dimethylamino)benzylidene]semicarbazide–acetic acid (1/2)
• Formula: C14 H22 N4 O5
• Calculated formula: C14 H22 N4 O5
• SMILES: O=C(N/N=C/c1ccc(N(C)C)cc1)N.O=C(O)C.O=C(O)C
• Title of publication: (<i>E</i>)-1-[4-(Dimethylamino)benzylidene]semicarbazide–acetic acid (1/2)
• Authors of publication: Liang, Zu-Pei; Li, Jian; Wang, Hong-Liang; Zhang, Yun-Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2978 - o2978
• a: 7.2931 ± 0.0002 Å
• b: 10.7952 ± 0.0008 Å
• c: 12.2472 ± 0.0007 Å
• α: 71.422 ± 0.017°
• β: 80.02 ± 0.004°
• γ: 73.947 ± 0.004°
• Cell volume: 874.49 ± 0.12 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1733
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes