Information card for entry 8102187

Structure parameters

• Chemical name: 2-carboxybenzaldehyde furan-2-carbohydrazide methanol hemisolvate
• Formula: C13.5 H12 N2 O4.5
• Calculated formula: C13.5 H12 N2 O4.5
• SMILES: N(/N=C/c1c(cccc1)C(=O)O)C(=O)c1occc1.OC
• Title of publication: Crystal structure of 2-carboxybenzaldehyde furan-2-carbohydrazide methanol hemisolvate, C~13~H~10~N~2~O~4~ · 0~.~5CH~3~OH
• Authors of publication: Tai, Xi-Shi; Yin, Jie; Kong, Fan-Yuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 4
• Pages of publication: 401 - 402
• a: 9.1625 ± 0.0013 Å
• b: 10.8104 ± 0.0019 Å
• c: 14.19 ± 0.002 Å
• α: 107.309 ± 0.003°
• β: 101.878 ± 0.003°
• γ: 92.192 ± 0.002°
• Cell volume: 1305.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0907
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No