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Hydrogen-bonding patterns in the cocrystal 2-amino-4,6-dimethoxy-pyrimidine-anthranilic acid (1/1).


ABSTRACT: In the title cocrystal, C(6)H(9)N(3)O(2)·C(7)H(7)NO(2), the asymmetric unit contains two crystallographically independent 2-amino-4,6-dimeth-oxy pyrimidine-anthranilic acid adducts. The 2-amino-4,6-dimeth-oxy pyrimidine mol-ecules inter-act with the carboxylic group of the respective anthranilic acid mol-ecules through N-H?O and O-H?N hydrogen bonds, forming a cyclic hydrogen-bonded motif R(2) (2)(8). The pyrimidine mol-ecules also form base pairs via a pair of N-H?N hydrogen bonds, forming another R(2) (2)(8) motif. The typical intra-molecular N-H?O hydrogen bond is observed in the anthranilic acid mol-ecules. Furthermore, the crystal structure is stabilized by C-H?O hydrogen bonds.

SUBMITTER: Thanigaimani K 

PROVIDER: S-EPMC2915181 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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Hydrogen-bonding patterns in the cocrystal 2-amino-4,6-dimethoxy-pyrimidine-anthranilic acid (1/1).

Thanigaimani Kaliyaperumal K   Muthiah Packianathan Thomas PT   Lynch Daniel E DE  

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1


In the title cocrystal, C(6)H(9)N(3)O(2)·C(7)H(7)NO(2), the asymmetric unit contains two crystallographically independent 2-amino-4,6-dimeth-oxy pyrimidine-anthranilic acid adducts. The 2-amino-4,6-dimeth-oxy pyrimidine mol-ecules inter-act with the carboxylic group of the respective anthranilic acid mol-ecules through N-H⋯O and O-H⋯N hydrogen bonds, forming a cyclic hydrogen-bonded motif R(2) (2)(8). The pyrimidine mol-ecules also form base pairs via a pair of N-H⋯N hydrogen bonds, forming anot  ...[more]

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