Information card for entry 2233304

Structure parameters

• Chemical name: adipic acid‒nicotinohydrazide (1/2)
• Formula: C18 H24 N6 O6
• Calculated formula: C18 H24 N6 O6
• SMILES: OC(=O)CCCCC(=O)O.NNC(=O)c1cccnc1.NNC(=O)c1cccnc1
• Title of publication: Form II of adipic acid‒nicotinohydrazide (1/2)
• Authors of publication: Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o190
• a: 15.9747 ± 0.0004 Å
• b: 7.3309 ± 0.0002 Å
• c: 8.7451 ± 0.0002 Å
• α: 90°
• β: 103.729 ± 0.003°
• γ: 90°
• Cell volume: 994.87 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 significantly intense reflections: 0.0291
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes