Information card for entry 7242890

Structure parameters

• Formula: C13 H11 N3
• Calculated formula: C13 H11 N3
• SMILES: n1c2c(ccc(N)c2)cc2c1cc(N)cc2
• Title of publication: Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction
• Authors of publication: Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 25
• Pages of publication: 4494 - 4499
• a: 5.9524 ± 0.0006 Å
• b: 10.0773 ± 0.0009 Å
• c: 17.1337 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1027.75 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1707
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.2228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No