Information card for entry 2200609

Structure parameters

• Chemical name: 4-[(2-nitrophenyl)hydrazono]-4H-naphthalen-1-one
• Formula: C16 H11 N3 O3
• Calculated formula: C16 H11 N3 O3
• SMILES: O=C1C=CC(=NNc2c(N(=O)=O)cccc2)c2ccccc12
• Title of publication: π‒π Stacks and C‒H···O bonded sheets in 4-[(2-nitrophenyl)hydrazono]-4<i>H</i>-naphthalen-1-one
• Authors of publication: Yatsenko, A. V.; Paseshnichenko, K. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: o1025 - o1026
• a: 7.328 ± 0.002 Å
• b: 16.366 ± 0.004 Å
• c: 11.131 ± 0.003 Å
• α: 90°
• β: 99.33 ± 0.02°
• γ: 90°
• Cell volume: 1317.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.309
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes