Information card for entry 7223805

Structure parameters

• Formula: C13 H19 N3 O2
• Calculated formula: C13 H19 N3 O2
• SMILES: O=C(NCCN1CCOCC1)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: 9.3267 ± 0.0014 Å
• b: 9.8628 ± 0.0015 Å
• c: 14.061 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1293.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0322
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No