Information card for entry 2232746

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-(3-Phenyl-1<i>H</i>-pyrazol-4- yl)methylidene]naphtho[2,1-<i>b</i>]furan-2-carbohydrazide monohydrate
• Formula: C23 H18 N4 O3
• Calculated formula: C23 H18 N4 O3
• SMILES: o1c2ccc3ccccc3c2cc1C(=O)N/N=C/c1c[nH]nc1c1ccccc1.O
• Title of publication: <i>N</i>'-[(<i>E</i>)-(3-Phenyl-1<i>H</i>-pyrazol-4-yl)methylidene]naphtho[2,1-<i>b</i>]furan-2-carbohydrazide monohydrate
• Authors of publication: Fun, Hoong-Kun; Loh, Wan-Sin; Malladi, Shridhar; Ganesh, B. M.; Isloor, Arun M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3471 - o3472
• a: 7.1383 ± 0.0001 Å
• b: 9.3928 ± 0.0001 Å
• c: 28.42 ± 0.0004 Å
• α: 90°
• β: 96.864 ± 0.001°
• γ: 90°
• Cell volume: 1891.86 ± 0.04 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0829
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1287
• 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: Yes