Information card for entry 2235520

Structure parameters

• Chemical name: (3<i>Z</i>,3'<i>E</i>)-3,3'-[Cyclohexane-1,2- diylbis(azanylylidene)]bis(indolin-2-one) <i>N</i>,<i>N</i>-dimethylformamide monosolvate dihydrate
• Formula: C25 H31 N5 O5
• Calculated formula: C25 H31 N5 O5
• SMILES: O=C1Nc2ccccc2/C1=N\[C@@H]1CCCC[C@H]1/N=C/1C(=O)Nc2c1cccc2.O=CN(C)C.O.O.O=C1Nc2ccccc2/C1=N\[C@H]1CCCC[C@@H]1/N=C/1C(=O)Nc2c1cccc2.O=CN(C)C.O.O
• Title of publication: (3<i>Z</i>,3'<i>E</i>)-3,3'-[Cyclohexane-1,2-diylbis(azanylylidene)]bis(indolin-2-one) <i>N</i>,<i>N</i>-dimethylformamide monosolvate dihydrate
• Authors of publication: Pezeshkpour, Shaghayegh; Khaledi, Hamid; Mohd Ali, Hapipah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2107
• a: 9.15 ± 0.0009 Å
• b: 11.3609 ± 0.0012 Å
• c: 13.6377 ± 0.0014 Å
• α: 109.259 ± 0.002°
• β: 108.431 ± 0.001°
• γ: 95.31 ± 0.002°
• Cell volume: 1238.6 ± 0.2 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: 0.046
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0946
• 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