Information card for entry 2013581

Structure parameters

• Chemical name: N,N'-bis(pyrrol-2-ylmethylene)propane-1,2-diamine
• Formula: C13 H16 N4
• Calculated formula: C13 H16 N4
• SMILES: c1ccc(/C=N/CCC/N=C/c2ccc[nH]2)[nH]1
• Title of publication: Self-recognition in a flexible bis(pyrrole) Schiff base derivative: formation of a one-dimensional hydrogen-bonded polymer
• Authors of publication: Munro, Orde Q.; Camp, Greville L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o672 - o675
• a: 15.469 ± 0.003 Å
• b: 20.644 ± 0.004 Å
• c: 7.997 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2553.8 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No