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Crystal structure of ethyl 2-[(4-bromo-phen-yl)amino]-3,4-di-methyl-pent-3-enoate.

ABSTRACT: In the title compound, C15H20BrNO2, there are two independent mol-ecules (A and B) comprising the asymmetric unit and these adopt very similar conformations. In A, the dihedral angle between the CO2 and MeC=CMe2 groups is 80.7?(3)°, and these make dihedral angles of 3.5?(3) and 84.09?(16)°, respectively, with the bromo-benzene ring. The equivalent dihedral angles for mol-ecule B are 78.4?(3), 2.1?(3) and 78.37?(12)°, respectively. The most prominent inter-actions in the crystal packing are amine-N-H?O(carbon-yl) hydrogen bonds between the two independent mol-ecules, resulting in non-centrosymmetric ten-membered {?OC2NH}2 synthons. Statistical disorder is noted for each of the terminal methyl groups of the ethyl residues.

SUBMITTER: Zukerman-Schpector J

PROVIDER: S-EPMC4257164 | biostudies-literature | 2014 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of ethyl 2-[(4-bromo-phen-yl)amino]-3,4-di-methyl-pent-3-enoate.

Zukerman-Schpector Julio J Caracelli I I Stefani Hélio A HA Khan Amna N AN Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20140924 Pt 10

In the title compound, C15H20BrNO2, there are two independent mol-ecules (A and B) comprising the asymmetric unit and these adopt very similar conformations. In A, the dihedral angle between the CO2 and MeC=CMe2 groups is 80.7 (3)°, and these make dihedral angles of 3.5 (3) and 84.09 (16)°, respectively, with the bromo-benzene ring. The equivalent dihedral angles for mol-ecule B are 78.4 (3), 2.1 (3) and 78.37 (12)°, respectively. The most prominent inter-actions in the crystal packing are amine ...[more]

PMID: 25484707

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