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3-[(3,4-Dichloro-phen-yl)amino-carbon-yl]propionic acid monohydrate.

ABSTRACT: In the crystal structure of the title compound, C(10)H(9)Cl(2)NO(3)·H(2)O, the conformations of the amide O atom and the carbonyl O atom of the acid segment are anti to the H atoms of adjacent -CH(2) groups. In the crystal, the mol-ecules are linked into a three-dimensional network through N-H?O and O-H?O inter-molecular hydrogen bonds.

SUBMITTER: Gowda BT

PROVIDER: S-EPMC2977205 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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3-[(3,4-Dichloro-phen-yl)amino-carbon-yl]propionic acid monohydrate.

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

Acta crystallographica. Section E, Structure reports online 20090701 Pt 8

In the crystal structure of the title compound, C(10)H(9)Cl(2)NO(3)·H(2)O, the conformations of the amide O atom and the carbonyl O atom of the acid segment are anti to the H atoms of adjacent -CH(2) groups. In the crystal, the mol-ecules are linked into a three-dimensional network through N-H⋯O and O-H⋯O inter-molecular hydrogen bonds. ...[more]

PMID: 21583439

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3-[(3,4-Dichloro-phen-yl)amino-carbon-yl]propionic acid.

Project description:In the title compound, C(10)H(9)Cl(2)NO(3), inversion dimers occur due to pairs of inter-molecular O-H⋯O hydrogen bonds from the carboxyl groups forming R(2) (2)(8) loops. The dimers are linked into C(4) chains along the a axis by inter-molecular N-H⋯O links. A short intra-molecular C-H⋯O contact occurs in the mol-ecule.

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2,2-Dichloro-N-(3,4-dimethyl-phen-yl)acetamide.

Project description:In the title compound, C(10)H(11)Cl(2)NO, the N-H bond is syn to the 3-methyl substituent in the aromatic ring, similar to that observed in N-(3,4-dimethyl-phen-yl)acetamide and to the 3-chloro substituent in 2,2-dichloro-N-(3,4-dichloro-phen-yl)acetamide, and contrasting with the anti conformation observed for the 3-methyl substituent in 2,2,2-trichloro-N-(3,4-dimethyl-phen-yl)acetamide. On the other hand, it is anti to the C=O bond. An inter-molecular N-H?O hydrogen bond links mol-ecules into infinite chains along the b axis.

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