Information card for entry 7054008

Structure parameters

• Formula: C13 H10 N2 O2
• Calculated formula: C13 H10 N2 O2
• SMILES: N(=O)(=O)c1ccc(/C=N/c2ccccc2)cc1
• Title of publication: Dual colorimetric receptor with logic gate operations: anion induced solvatochromism
• Authors of publication: Madhuprasad,; Swathi, N.; Manjunatha, J. R.; Das, Uttam Kumar; Shetty, A. Nityananda; Trivedi, Darshak R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 4
• Pages of publication: 1484
• a: 14.648 ± 0.0002 Å
• b: 10.8265 ± 0.0002 Å
• c: 14.7278 ± 0.0002 Å
• α: 90°
• β: 101.94 ± 0.001°
• γ: 90°
• Cell volume: 2285.1 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1054
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No