Information card for entry 2001054

Structure parameters

• Formula: C17 H17 Cl N4 O2
• Calculated formula: C17 H17 Cl N4 O2
• SMILES: CCCCN1C(=O)/C(=N\Nc2ccc(cc2)Cl)C(=C(C1=O)C#N)C
• Title of publication: Structure of 1-butyl-5-[(4-chlorophenyl)azo]-1,2,5,6-tetrahydro-4-methyl-2,6-dioxo-3-pyridinecarbonitrile
• Authors of publication: Black, S. N.; Davey, R. J.; Slawin, A. M. Z.; Williams, D. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 323 - 325
• a: 7.586 ± 0.002 Å
• b: 11.429 ± 0.004 Å
• c: 19.592 ± 0.008 Å
• α: 90°
• β: 93.52 ± 0.03°
• γ: 90°
• Cell volume: 1695.4 ± 1 ų
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No