Information card for entry 2300044

Structure parameters

• Chemical name: N-(2-methoxyphenyl-2-(methoxyphenyldiazenyl)-4,6-dinitrobenzamide
• Formula: C21 H17 N5 O7
• Calculated formula: C21 H17 N5 O7
• SMILES: c1(c(cc(cc1/N=N/c1c(cccc1)OC)N(=O)=O)N(=O)=O)C(=O)Nc1ccccc1OC
• 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: 22.788 ± 0.008 Å
• b: 13.018 ± 0.006 Å
• c: 6.92 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2052.8 ± 1.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Goodness-of-fit parameter for all reflections: 4.14
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No