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(S)-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 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.

SUBMITTER: Dai W

PROVIDER: S-EPMC2961421 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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

Dai Wei W Fu Da-Wei DW

Acta crystallographica. Section E, Structure reports online 20080503 Pt 6

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. ...[more]

PMID: 21202703

Similar Datasets

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 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.

| S-EPMC2962077 | biostudies-literature

(E)-Methyl 2-[(4-nitro-phen-yl)-hydrazono]-propanoate.

Project description:The title compound, C(10)H(11)N(3)O(4), is a condensation product of 4-nitro-phenyl-hydrazine and methyl pyruvate. The complete mol-ecule except for the methyl groups can be considered as a conjugated ? system. All non-H atoms are approximately coplanar (r.m.s. deviation 0.117?Å). The crystal packing involves an N-H?O hydrogen bond and a ?-? inter-action between the aromatic rings, with a centroid-centroid distance of 3.617?Å.

| S-EPMC2915385 | biostudies-literature

N'-(2,4-Di-nitro-phen-yl)acetohydrazide monohydrate.

Project description:In the crystal structure of the title compound, C8H8N4O5·H2O, the organic and lattice water mol-ecules are linked together via N-H?O and O-H?O hydrogen bonds. A C-H?O inter-action is also observed between the organic mol-ecules. These hydrogen bonds and inter-actions lead to the formation of a three-dimensional network. An intra-molecular N-H?O hydrogen bond also occurs. The dihedral angle between the acetyl group and the almost planar hydrazide moiety [maximum deviation from the least-squares plane is 0.209?(2)?Å for one of the nitro O atoms] is 88.5?(3)°.

| S-EPMC3793750 | biostudies-literature

(S)-2-[(2R,3S)-2-Ammonio-3-hydr-oxy-3-(4-nitro-phen-yl)propanamido]-4-methyl-penta-noate monohydrate.

Project description:The structure of the title compound, C(15)H(21)N(3)O(6)·H(2)O, is of inter-est with respect to assumed anti-cancer activity. The title mol-ecules are linked through inter-molecular O-H?O hydrogen-bonded chains along the a axis. These chains are connected by inter-molecular N-H?O hydrogen bonds through the crystallographic screw axis along [010], forming layers, which are stabilized by other N-H?O bonds with water O atoms as acceptors and O-H?O bonds with water H atoms as donors. The H atoms of the protonated amino cation are also involved in inter-molecular N-H?O bonding inter-actions.

| S-EPMC2960037 | biostudies-literature

(2R,3S)-2-Ammonio-3-hydr-oxy-3-(4-nitro-phen-yl)propanoic acid chloride monohydrate.

Project description:The title compound, C(9)H(11)N(2)O(5) (+)·Cl(-)·H(2)O, was synthesized from (1S,2S)-2-amino-1-(4-nitro-phen-yl)propane-1,3-diol in four steps. As demonstrated by this work, no racemization occurs during this synthetic procedure. The crystal structure displays many inter-molecular hydrogen bonds between the acidic cation, chloride anions and the water mol-ecules, forming a three-dimensional network. An intra-molecular bond between the ammonium group and a hydroxyl O atom is also present.

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[(2R,3R)-3-(4-Nitro-phen-yl)aziridin-2-yl]methanol monohydrate.

Project description:The title monohydrate, C9H10N2O3·H2O, contains an aziridine ring including two contiguous stereocenters, both of which exhibit an R configuration. The methyl-hydroxy and nitro-phenyl groups are cis-disposed about the aziridine ring. The mean plane of the benzene ring is tilted to the aziridine ring by 66.65?(8)°. The nitro group is nearly coplanar with the benzene ring [dihedral angle = 2.5?(2)°]. In the crystal, the components are linked by N-H?O, O-H?N and O-H?O hydrogen bonds, generating supra-molecular layers parallel to (001).

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2-(Ammonio-meth-yl)pyridinium sulfate monohydrate.

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.

| S-EPMC3297955 | biostudies-literature

1-(3-Ammonio-methyl-2,4,6-trimethyl-benz-yl)-3-(2,4,6-trimethyl-phen-yl)imidazol-1-ium dibromide monohydrate.

Project description:In the title compound, C(25)H(35)N(3) (2+)·2Br(-)·H(2)O, the dihedral angles between the imidazole ring and the two outer benzene rings are 80.16?(16) and 69.40?(18)°. The component species are linked by N-H?Br, O-H?Br and C-H?Br hydrogen bonds.

| S-EPMC2977708 | biostudies-literature

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.

| S-EPMC2977476 | biostudies-literature

(Z)-1-(3-Nitro-phen-yl)-2-(4-nitro-phen-yl)ethene.

Project description:In the mol-ecule of the title compound, C(14)H(10)N(2)O(4), the dihedral angle formed by the benzene rings is 53.66?(5)°. In the crystal structure, mol-ecules are linked into chains parallel to the [01] direction by inter-molecular C-H?O hydrogen-bonding inter-actions.

| S-EPMC2962112 | biostudies-literature

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