Information card for entry 7227606

Structure parameters

• Formula: C19 H18 N4 O
• Calculated formula: C19 H18 N4 O
• SMILES: O1CCN(c2nc(nnc2c2ccccc2)c2ccccc2)CC1
• Title of publication: Solvent-free synthesis of 5-(aryl/alkyl)amino-1,2,4-triazines and α-arylamino-2,2′-bipyridines with greener prospects
• Authors of publication: Kopchuk, Dmitry S.; Chepchugov, Nikolay V.; Kovalev, Igor S.; Santra, Sougata; Rahman, Matiur; Giri, Kousik; Zyryanov, Grigory V.; Majee, Adinath; Charushin, Valery N.; Chupakhin, Oleg N.
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 16
• Pages of publication: 9610
• a: 11.579 ± 0.0008 Å
• b: 9.4791 ± 0.0005 Å
• c: 30.0335 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3296.4 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No