Information card for entry 2202066

Structure parameters

• Chemical name: N-(4-Bromo-2-nitrophenyl)-N-methyl-N'-(quinolin-4-ylmethylene)hydrazine
• Formula: C17 H13 Br N4 O2
• Calculated formula: C17 H13 Br N4 O2
• SMILES: Brc1ccc(N(/N=C/c2ccnc3ccccc23)C)c(N(=O)=O)c1
• Title of publication: <i>N</i>-(4-Bromo-2-nitrophenyl)-<i>N</i>-methyl-<i>N</i>'-(quinolin-4-ylmethylene)hydrazine
• Authors of publication: Sema Öztürk; Mehmet Akkurt; Ercan Aydemír; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o488 - o489
• a: 12.7415 ± 0.0011 Å
• b: 6.9924 ± 0.0006 Å
• c: 17.9671 ± 0.0015 Å
• α: 90°
• β: 98.641 ± 0.002°
• γ: 90°
• Cell volume: 1582.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1203
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No