Information card for entry 2013490

Structure parameters

• Common name: 4-[N,N-bis(2-cyanoethyl)amino]pyridine
• Chemical name: 3,3'-(4-pyridylimino)dipropanenitrile
• Formula: C11 H12 N4
• Calculated formula: C11 H12 N4
• SMILES: N#CCCN(c1ccncc1)CCC#N
• Title of publication: 4-[<i>N,N</i>-Bis(2-cyanoethyl)amino]pyridine
• Authors of publication: Ni Jun; Li, Yi-Zhi; Qi, Wen-Bin; Liu, Yong-Jiang; Chen, Hui-Lan; Wang, Zhi-Lin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o470 - o472
• a: 15.355 ± 0.004 Å
• b: 8.321 ± 0.002 Å
• c: 8.264 ± 0.002 Å
• α: 90°
• β: 92.12 ± 0.01°
• γ: 90°
• Cell volume: 1055.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes