Information card for entry 2232898

Structure parameters

• Chemical name: 4-Hydroxy-3-methoxybenzaldehyde‒nicotinamide (1/1)
• Formula: C14 H14 N2 O4
• Calculated formula: C14 H14 N2 O4
• SMILES: O=Cc1ccc(O)c(OC)c1.O=C(N)c1cccnc1
• Title of publication: 4-Hydroxy-3-methoxybenzaldehyde‒nicotinamide (1/1)
• Authors of publication: How, Fiona N.-F.; Amalina, M. S.; Khaledi, Hamid; Mohd Ali, Hapipah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3168
• a: 4.8979 ± 0.0001 Å
• b: 8.544 ± 0.0002 Å
• c: 15.4713 ± 0.0004 Å
• α: 98.108 ± 0.001°
• β: 92.81 ± 0.002°
• γ: 94.784 ± 0.002°
• Cell volume: 637.52 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0549
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes