Information card for entry 2228435

Structure parameters

• Chemical name: (1<i>H</i>-Pyrrol-2-ylmethylidene)(3-{[(1<i>H</i>-pyrrol-2- ylmethylidene)amino]methyl}benzyl)amine
• Formula: C18 H18 N4
• Calculated formula: C18 H18 N4
• SMILES: [nH]1cccc1/C=N/Cc1cc(ccc1)C/N=C/c1[nH]ccc1
• Title of publication: (1<i>H</i>-Pyrrol-2-ylmethylidene)(3-{[(1<i>H</i>-pyrrol-2-ylmethylidene)amino]methyl}benzyl)amine
• Authors of publication: Kim, Dong Wan; Kim, Tae Ho; Kim, Jineun; Kim, Jae Sang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3211
• a: 5.001 ± 0.0006 Å
• b: 17.271 ± 0.002 Å
• c: 17.764 ± 0.002 Å
• α: 90°
• β: 96.128 ± 0.009°
• γ: 90°
• Cell volume: 1525.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1411
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1408
• 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