The Crystal Structure of 1-Ethyl-5-bromouracil. II. The Crystal Structure of the Form II Crystal of 1-Ethyl-5-bromouracil

Abstract
Two crystalline forms of 1-ethyl-5-bromouracil were found. The crystal structure of the form II has been determined. The dimension of the tetragonal unit cell are a=b=17.13 Å, c=5.36 Å, and Z=8. The space group is P42⁄n. The final R is 0.064. The hydrogen bond scheme in this crystal, N(3)–H(3)···O(2), is the first finding in alkylated pyrimidine dimers. The carbon atom binding to the nitrogen atom of the pyrimidine ring deviates significantly from the pyrimidine ring plane.

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