Open Access5‐Fluorouracil and thymine form a crystalline solid solution
Author(s) -
Barnett Sarah A.,
Tocher Derek A.,
Hulme Ashley T.
Publication year - 2006
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
eISSN - 1600-5759
pISSN - 0108-2701
DOI - 10.1107/s0108270106019688
Subject(s) - thymine , hydrogen bond , crystal structure , crystallography , molecule , fluorouracil , crystal (programming language) , stereochemistry , crystallization , chemistry , materials science , dna , organic chemistry , biology , biochemistry , chemotherapy , computer science , programming language , genetics
The crystal structure of a 5‐fluorouracil–thymine [5‐fluoropyrimidine‐2,4(1 H ,3 H )‐dione–5‐methylpyrimidine‐2,4(1 H ,3 H )‐dione, C 4 H 3 FN 2 O 2 ·C 5 H 6 N 2 O 2 ] solid solution has been determined. Both of the crystallographically independent sites can accommodate either 5‐fluorouracil or thymine molecules, leading to occupational disorder [C 5− x H 6–3 x F x N 2 O 2 ·C 5− y H 6−3 x F y N 2 O 2 , with x = 0.52 and y = 0.7 for determination (I), x = 0.55 and y = 0.69 for (II), and x = 0.67 and y = 0.76 for (III)]. The 5‐fluorouracil–thymine ratio in the crystal structure is influenced by the 5‐fluorouracil–thymine ratio in the crystallization solution, though it does not exactly mirror it. The crystal structure comprises interpenetrating hydrogen‐bonded nets, containing four independent hydrogen bonds.