Information card for entry 7212420

Structure parameters

• Common name: bis(nicotinamide).(citric acid)
• Chemical name: bis(nicotinamide).(citric acid)
• Formula: C18 H20 N4 O9
• Calculated formula: C18 H20 N4 O9
• Title of publication: The co-crystal of two GRAS substances: (citric acid)·(nicotinamide). Formation of four hydrogen bonding heterosynthons in one co-crystal
• Authors of publication: Lemmerer, Andreas; Bernstein, Joel
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 2029
• a: 5.3769 ± 0.0004 Å
• b: 11.3121 ± 0.0008 Å
• c: 16.9006 ± 0.0011 Å
• α: 101.325 ± 0.003°
• β: 96.441 ± 0.003°
• γ: 103.112 ± 0.003°
• Cell volume: 968.36 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0791
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No