Information card for entry 7223807

Structure parameters

• Formula: C17 H15 N3 O
• Calculated formula: C17 H15 N3 O
• SMILES: O=C(NCCc1ncccc1)c1ccc(N)cc1
• Title of publication: Comparative Study of dG Affinity vs.DNA Methylation Modulating Properties of Side Chain Derivatives of Procainamide: Insight into its DNA Hypomethylating Effect
• Authors of publication: Gawade, Rupesh Liladhar; Chakravarty, Debamitra K.; Debgupta, Joyashish; Sangtani, Ekta; Narawade, Santosh; Gonnade, Rajesh G.; Puranik, Vedavati G.; Deobagkar, Deepti D.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 19.628 ± 0.006 Å
• b: 19.628 ± 0.006 Å
• c: 8.151 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3140.2 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.1354
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.2077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No