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N-Acetyl-5-chloro-3-nitro-l-tyrosine ethyl ester.

ABSTRACT: The title compound, C(13)H(15)ClN(2)O(6), was synthesized by hypochlorous acid-mediated chlorination of N-acetyl-3-nitro-l-tyrosine ethyl ester. The OH group forms an intra-molecular O-H?O hydrogen bond to the nitro group and the N-H group forms an inter-molecular N-H?O hydrogen bonds to an amide O atom, linking the mol-ecules into chains along [100]. The crystal studied was a non-merohedral twin, with a 0.907?(4):0.093?(4) domain ratio.

SUBMITTER: Mutahi TT

PROVIDER: S-EPMC3435836 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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N-Acetyl-5-chloro-3-nitro-l-tyrosine ethyl ester.

Mutahi Teresa T TT Edagwa Benson J BJ Fronczek Frank R FR Uppu Rao M RM

Acta crystallographica. Section E, Structure reports online 20120831 Pt 9

The title compound, C(13)H(15)ClN(2)O(6), was synthesized by hypochlorous acid-mediated chlorination of N-acetyl-3-nitro-l-tyrosine ethyl ester. The OH group forms an intra-molecular O-H⋯O hydrogen bond to the nitro group and the N-H group forms an inter-molecular N-H⋯O hydrogen bonds to an amide O atom, linking the mol-ecules into chains along [100]. The crystal studied was a non-merohedral twin, with a 0.907 (4):0.093 (4) domain ratio. ...[more]

PMID: 22969682

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