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- W1981011513 abstract "The title compound {systematic name: 4-amino-1-(2-deoxy-β-D- erythro -pentofuranosyl)-5-[6-(1-benzyl-1 H -1,2,3-triazol-4-yl)hex-1-ynyl]pyrimidin-2(1 H )-one}, C 24 H 28 N 6 O 4 , shows two conformations in the crystalline state, viz. (I-1) and (I-2). The pyrimidine groups and side chains of the two conformers are almost superimposable, while the greatest differences between them are observed for the sugar groups. The N-glycosylic bonds of both conformers adopt similar anti conformations, with χ = −168.02 (12)° for conformer (I-1) and χ = −159.08 (12)° for conformer (I-2). The sugar residue of (I-1) shows an N -type (C3′- endo ) conformation, with P = 33.1 (2)° and τ m = 29.5 (1)°, while the conformation of the 2′-deoxyribofuranosyl group of (I-2) is S -type (C3′- exo ), with P = 204.5 (2)° and τ m = 33.8 (1)°. Both conformers participate in hydrogen-bond formation and exhibit identical patterns resulting in three-dimensional networks. Intermolecular hydrogen bonds are formed with neighbouring molecules of different and identical conformations (N—H...N, N—H... O, O—H...N and O—H...O)." @default.
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- W1981011513 date "2012-03-20" @default.
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- W1981011513 title "A 2′-deoxycytidine long-linker click adduct forming two conformers in the asymmetric unit" @default.
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- W1981011513 doi "https://doi.org/10.1107/s0108270112010682" @default.
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