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N-(2,6-Dimethyl-phen-yl)succinamic acid.

ABSTRACT: In the amide segment of the title compound, C(12)H(15)NO(3) {systematic name: 3-[(2,6-dimethyl-phen-yl)amino-carbon-yl]propionic acid}, the N-H and C=O bonds are anti to each other. The mol-ecules are packed into a two-dimensional array via N-H?O and O-H?O hydrogen bonds.

SUBMITTER: Gowda BT

PROVIDER: S-EPMC2968649 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

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N-(2,6-Dimethyl-phen-yl)succinamic acid.

Gowda B Thimme BT Foro Sabine S Saraswathi B S BS Terao Hiromitsu H Fuess Hartmut H

Acta crystallographica. Section E, Structure reports online 20090206 Pt 3

In the amide segment of the title compound, C(12)H(15)NO(3) {systematic name: 3-[(2,6-dimethyl-phen-yl)amino-carbon-yl]propionic acid}, the N-H and C=O bonds are anti to each other. The mol-ecules are packed into a two-dimensional array via N-H⋯O and O-H⋯O hydrogen bonds. ...[more]

PMID: 21582137

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Project description:In the title compound, C(12)H(15)NO(3)·H(2)O, the conformation of the N-H bond in the amide segment is syn to the ortho-methyl group and anti to the meta-methyl group in the benzene ring. Further, the conformations of the amide O and the carbonyl O atom of the acid segment are anti to the adjacent methyl-ene H atoms. The C=O and O-H bonds of the acid group are syn to one another. The structure shows an inter-esting hydrogen-bonding pattern with the water mol-ecule forming hydrogen bonds with three different mol-ecules of the compound. In the crystal, mol-ecules are packed into infinite chains through inter-molecular O-H?O and N-H?O hydrogen bonds.

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N-(2-Methyl-phen-yl)succinamic acid.

Project description:In the crystal structure of the title compound, C(11)H(13)NO(3), the conformations of the N-H and C=O bonds in the amide segment are anti to each other and that of the amide H atom is syn to the ortho-methyl group in the benzene ring. In the crystal, O-H?O interactions lead to carboxylic acid inversion dimers and inter-molecular N-H?O hydrogen bonds link the mol-ecules into infinite chains. In addition, the crystal structure exhibits inter-molecular C-H?? inter-actions between one of the methyl H atoms and the benzene ring of neighbouring mol-ecules.

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