Information card for entry 2300045

Structure parameters

• Chemical name: N-methyl-2,4-dinitro-N-phenyl-6-(phenyldiazenyl)-benzamide
• Formula: C20 H15 N5 O5
• Calculated formula: C20 H15 N5 O5
• SMILES: c1(c(cc(cc1N=Nc1ccccc1)N(=O)=O)N(=O)=O)C(=O)N(c1ccccc1)C
• Title of publication: Unexpected molecular structure from laboratory powder diffraction data
• Authors of publication: Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Kuvshinov, Alexandr M.; Shevelev, Svyatoslav A.
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2002
• Journal volume: 35
• Journal issue: 6
• Pages of publication: 669 - 673
• a: 8.676 ± 0.004 Å
• b: 18.56 ± 0.007 Å
• c: 12.098 ± 0.006 Å
• α: 90°
• β: 90.38 ± 0.02°
• γ: 90°
• Cell volume: 1948.1 ± 1.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Goodness-of-fit parameter for all reflections: 3.06
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No