Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 3 (March 2007)

organic compounds

gg3052 scheme

Acta Cryst. (2007). C63, o173-o176 [ doi:10.1107/S0108270107002016 ]

6-Aza-2'-deoxyuridine and N³-anisoyl-6-aza-2'-deoxyuridine

F. Seela, P. Chittepu, Y. He, H. Eickmeier and H. Reuter

Abstract: In 2-(2-deoxy- [beta] -D-erythro-pentofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione (6-aza-2'-deoxyuridine), C₈H₁₁N₃O₅, (I), the conformation of the glycosylic bond is between anti and high-anti [ [chi] = -94.0 (3)°], whereas the derivative 2-(2-deoxy- [beta] -D-erythro-pentofuranosyl)-N⁴-(2-methoxybenzoyl)-1,2,4-triazine-3,5(2H,4H)-dione (N³-anisoyl-6-aza-2'-deoxyuridine), C₁₆H₁₇N₃O₇, (II), displays a high-anti conformation [ [chi] = -86.4 (3)°]. The furanosyl moiety in (I) adopts the S-type sugar pucker (²T₃), with P = 188.1 (2)° and [tau] _m = 40.3 (2)°, while the sugar pucker in (II) is N (³T₄), with P = 36.1 (3)° and [tau] _m = 33.5 (2)°. The crystal structures of (I) and (II) are stabilized by intermolecular N-HO and O-HO interactions.

Formula: C₈H₁₁N₃O₅ and C₁₆H₁₇N₃O₇


	Structure factor file (CIF format) (77.9 kbytes) [ doi:10.1107/S0108270107002016/gg3052Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (85.3 kbytes) [ doi:10.1107/S0108270107002016/gg3052IIsup3.hkl ] Contains datablock II

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