Information card for entry 2224727

Structure parameters

• Chemical name: 3,4,5-Trihydroxy-<i>N</i>'-(1<i>H</i>-indol-2-ylmethylidene)benzohydrazide‒ 1<i>H</i>-indole-2-carbaldehyde azine‒methanol (2/1/2)
• Formula: C52 H48 N10 O10
• Calculated formula: C52 H48 N10 O10
• SMILES: O=C(N/N=C/c1[nH]c2c(c1)cccc2)c1cc(O)c(O)c(O)c1.O=C(N/N=C/c1[nH]c2c(c1)cccc2)c1cc(O)c(O)c(O)c1.[nH]1c(cc2ccccc12)C=NN=Cc1[nH]c2c(c1)cccc2.OC.OC
• Title of publication: 3,4,5-Trihydroxy-<i>N</i>'-(1<i>H</i>-indol-2-ylmethylidene)benzohydrazide‒1<i>H</i>-indole-2-carbaldehyde azine‒methanol (2/1/2)
• Authors of publication: Khaledi, Hamid; Alhadi, Abeer A.; Mohd Ali, Hapipah; Robinson, Ward T.; Abdulla, Mahmood A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o105 - o106
• a: 7.4642 ± 0.0015 Å
• b: 12.791 ± 0.002 Å
• c: 25.079 ± 0.005 Å
• α: 95.918 ± 0.003°
• β: 95.166 ± 0.004°
• γ: 101.451 ± 0.004°
• Cell volume: 2319.2 ± 0.8 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: 0.1461
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes