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2-Ammonio-3-(4-nitro-phen-yl)propanoate monohydrate.

ABSTRACT: The title compound, C(9)H(10)N(2)O(4)·H(2)O, exists as a zwitterion with a deprotonated carboxyl group and a protonated amine group. The crystal packing is stabilized by inter-molecular N-H?O and O-H?O hydrogen bonds, building sheets parallel to the (001) plane.

SUBMITTER: Dai W

PROVIDER: S-EPMC2962077 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

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2-Ammonio-3-(4-nitro-phen-yl)propanoate monohydrate.

Dai Wei W Fu Da-Wei DW

Acta crystallographica. Section E, Structure reports online 20080709 Pt 8

The title compound, C(9)H(10)N(2)O(4)·H(2)O, exists as a zwitterion with a deprotonated carboxyl group and a protonated amine group. The crystal packing is stabilized by inter-molecular N-H⋯O and O-H⋯O hydrogen bonds, building sheets parallel to the (001) plane. ...[more]

PMID: 21203161

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(S)-2-Ammonio-3-(4-nitro-phen-yl)propanoate monohydrate.

Project description:The title compound, C(9)H(10)N(2)O(4)·H(2)O, exists as a zwitterion with a deprotonated carboxyl group and a protonated amino group. The crystal packing is stabilized by N-H⋯O and O-H⋯O hydrogen bonds, building sheets parallel to the (001) plane. The absolute configuration was deduced from the synthetic pathway.

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Project description:In the crystal of the title hydrated molecular salt, C(6)H(10)N(2) (2+)·SO(4) (2-)·H(2)O, N-H⋯O and O-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the ab plane. C-H⋯O hydrogen bonds are observed both within these layers and between mol-ecules and ions in adjacent layers.

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Ethyl 3-[(3,5-dimethyl-phen-yl)amino-carbon-yl]propanoate.

Project description:The non-H atoms in the title compound, C(14)H(19)NO(3), lie on a mirror plane. The amide O and ester carbonyl O atoms are trans to each other. Furthermore, the C=O and O-CH(2) bonds of the ester group are syn with respect to each other. In the crystal, mol-ecules are packed into centrosymmetric dimers through inter-molecular N-H?O hydrogen bonds.

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