Information card for entry 2216682

Structure parameters

• Chemical name: (<i>E</i>)-4-(Nicotinoylhydrazono)pentanoic acid
• Formula: C11 H13 N3 O3
• Calculated formula: C11 H13 N3 O3
• SMILES: N(=C(C)/CCC(=O)O)\NC(=O)c1cccnc1
• Title of publication: (<i>E</i>)-4-(Nicotinoylhydrazono)pentanoic acid
• Authors of publication: Yong-Tao Wang; Gui-Mei Tang; Jian-Chao Yu; Wen-Tao Yu; Jian-Dong Fan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4655 - o4655
• a: 7.029 ± 0.0003 Å
• b: 7.0968 ± 0.0002 Å
• c: 12.1706 ± 0.0004 Å
• α: 85.419 ± 0.002°
• β: 75.096 ± 0.002°
• γ: 84.064 ± 0.002°
• Cell volume: 582.64 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0581
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes