Information card for entry 7205308

Structure parameters

• Common name: (succinic acid).(nicotinic acid hydrazide)2
• Chemical name: (succinic acid).(nicotinic acid hydrazide)2
• Formula: C16 H20 N6 O6
• Calculated formula: C16 H20 N6 O6
• SMILES: c1(cnccc1)C(=O)NN.c1(cnccc1)C(=O)NN.C(=O)(CCC(=O)O)O
• Title of publication: Covalent assistance to supramolecular synthesis: directing the supramolecular assembly of co-crystals by in situ modification of hydrogen bonding functionality
• Authors of publication: Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 55
• a: 8.083 ± 0.0004 Å
• b: 26.586 ± 0.001 Å
• c: 8.097 ± 0.0004 Å
• α: 90°
• β: 104.449 ± 0.004°
• γ: 90°
• Cell volume: 1684.97 ± 0.14 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 all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No