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2,4-Diamino-5-(4-chloro-phen-yl)-6-ethyl-pyrimidin-1-ium 2-propanamido-benzoate.

ABSTRACT: In the title salt, C(12)H(14)ClN(4) (+)·C(10)H(10)NO(3) (-), zwitterionic N-H?O inter-actions form an R(2) (2)(8) ring. The crystal structure is stabilized by N-H?O and N-H?N hydrogen bonds involving two different eight-membered rings. An N-H?O inter-action occurs between the pyrimidine ring (donor) and carboxyl-ate group (acceptor) while the other ring is formed by N-H?N inter-actions, which form a dimer between two symmetry-related salts. An intra-molecular N-H?O hydrogen bond forms a six-membered ring in the benzoate. Inter-molecular C-H?O inter-actions are also observed.

SUBMITTER: Natarajan S

PROVIDER: S-EPMC3201463 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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2,4-Diamino-5-(4-chloro-phen-yl)-6-ethyl-pyrimidin-1-ium 2-propanamido-benzoate.

Natarajan Sampath S Mathews Rita R

Acta crystallographica. Section E, Structure reports online 20110914 Pt 10

In the title salt, C(12)H(14)ClN(4) (+)·C(10)H(10)NO(3) (-), zwitterionic N-H⋯O inter-actions form an R(2) (2)(8) ring. The crystal structure is stabilized by N-H⋯O and N-H⋯N hydrogen bonds involving two different eight-membered rings. An N-H⋯O inter-action occurs between the pyrimidine ring (donor) and carboxyl-ate group (acceptor) while the other ring is formed by N-H⋯N inter-actions, which form a dimer between two symmetry-related salts. An intra-molecular N-H⋯O hydrogen bond forms a six-memb ...[more]

PMID: 22065507

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