A 2'-deoxycytidine long-linker click adduct forming two conformers in the asymmetric unit.
作者： Frank Seela , Hai Xiong , Simone Budow , Henning Eickmeier , Hans Reuter
DOI: 10.1107/S0108270112010682
关键词:
摘要: The title compound {systematic name: 4-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-5-[6-(1-benzyl-1H-1,2,3-triazol-4-yl)hex-1-ynyl]pyrimidin-2(1H)-one}, C(24)H(28)N(6)O(4), shows two conformations in the crystalline state, viz. (I-1) and (I-2). pyrimidine groups side chains of conformers are almost superimposable, while greatest differences between them observed for sugar groups. N-glycosylic bonds both adopt similar anti conformations, with χ = -168.02 (12)° conformer -159.08 (12)° residue an N-type (C3'-endo) conformation, P 33.1 (2)° τ(m) 29.5 (1)°, conformation 2'-deoxyribofuranosyl group (I-2) is S-type (C3'-exo), P = 204.5 (2)° 33.8 (1)°. Both participate hydrogen-bond formation exhibit identical patterns resulting three-dimensional networks. Intermolecular hydrogen formed neighbouring molecules different (N-H...N, N-H... O, O-H...N O-H...O).
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