Ontology highlight
ABSTRACT:
SUBMITTER: Fun HK
PROVIDER: S-EPMC2969306 | biostudies-literature | 2009 Jun
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20090606 Pt 7
The asymmetric unit of the title compound, C(14)H(23)N(5)O(3)·2H(2)O, contains two crystallographically independent 6-amino-2,5-bis-(pivaloylamino)pyrimidin-4(3H)-one mol-ecules (A and B) with similar geometry and four water mol-ecules. In both independent mol-ecules, one of the amide groups is almost coplanar with the pyrimidine ring [dihedral angle of 12.85 (9) in A and 12.30 (10)° in B], whereas the other amide group is significantly twisted away from it [dihedral angle is 72.18 (7) in A and ...[more]