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Methyl 2-(4,6-dichloro-1,3,5-triazin-2-yl-amino)acetate.

ABSTRACT: The title compound, C(6)H(6)Cl(2)N(4)O(2), was prepared by the nucleophilic substitution of 2,4,6-trichloro-1,3,5-triazine by glycine methyl ester hydro-chloride, and was isolated from the reaction by using flash chromatography. The crystal structure at 150 K reveals the presence two crystallographically independent mol-ecules in the asymmetric unit which differ in the orientation of the pendant methoxy-carbonyl group. Each mol-ecular unit is engaged in strong and highly directional N-H⋯N hydrogen-bonding inter-actions with a symmetry-related mol-ecule, forming supra-molecular dimers which act as the synthons in the crystal packing.

SUBMITTER: Vilela SM

PROVIDER: S-EPMC2977099 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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Methyl 2-(4,6-dichloro-1,3,5-triazin-2-yl-amino)acetate.

Vilela Sérgio M F SM Almeida Paz Filipe A FA Tomé João P C JP de Zea Bermudez Verónica V Cavaleiro José A S JA Rocha João J

Acta crystallographica. Section E, Structure reports online 20090725 Pt 8

The title compound, C(6)H(6)Cl(2)N(4)O(2), was prepared by the nucleophilic substitution of 2,4,6-trichloro-1,3,5-triazine by glycine methyl ester hydro-chloride, and was isolated from the reaction by using flash chromatography. The crystal structure at 150 K reveals the presence two crystallographically independent mol-ecules in the asymmetric unit which differ in the orientation of the pendant methoxy-carbonyl group. Each mol-ecular unit is engaged in strong and highly directional N-H⋯N hydrog ...[more]

PMID: 21583661

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