Information card for entry 7220656

Structure parameters

• Chemical name: N,N'-bis(pyridin-2-carboxylidene)-1,4-diaminobutane
• Formula: C16 H18 N4
• Calculated formula: C16 H18 N4
• SMILES: c1(ccccn1)/C=N/CCCC/N=C/c1ccccn1
• Title of publication: Effects of Non Covalent Interactions in Light Emitting Properties of bis-pyridyl-alkyl-di-imines
• Authors of publication: Baig, Fayaz; Kant, Rajni; Gupta, Vivek; Sarkar, Madhushree
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.2157 ± 0.0005 Å
• b: 8.9944 ± 0.0005 Å
• c: 9.3471 ± 0.0005 Å
• α: 90°
• β: 107.344 ± 0.006°
• γ: 90°
• Cell volume: 739.55 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No