Information card for entry 7062389

Structure parameters

• Formula: C14 H10 N2
• Calculated formula: C14 H10 N2
• SMILES: c1(ccccc1)c1nc2c(cn1)cccc2
• Title of publication: A sustainable approach for nickel nanoparticles synthesis: expeditious access to N-heterocycles under heterogeneous condition and photophysical studies
• Authors of publication: R., Thrilokraj; Hegde, Rajeev V.; Ghosh, Arnab; Limaye, Akshay S.; Rode, Haridas B.; Sridhar, Balasubramanian; Dateer, Ramesh B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 17
• Pages of publication: 8268 - 8276
• a: 18.564 ± 0.01 Å
• b: 5.046 ± 0.002 Å
• c: 11.181 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1047.4 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No