Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(S)-1-Methoxy-carbonyl-3-(4-nitro-phen-yl)propan-2-aminium bromide.

ABSTRACT: In the crystal structure of the title compound, C(10)H(13)N(2)O(4) (+)·Br(-), inter-molecular N-H?Br and N-H?(O,Br) hydrogen bonds link the cations and anions into a two-dimensional network parallel to the ab plane.

SUBMITTER: Wang B

PROVIDER: S-EPMC2970394 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(S)-1-Methoxy-carbonyl-3-(4-nitro-phen-yl)propan-2-aminium bromide.

Wang Bo B

Acta crystallographica. Section E, Structure reports online 20090909 Pt 10

In the crystal structure of the title compound, C(10)H(13)N(2)O(4) (+)·Br(-), inter-molecular N-H⋯Br and N-H⋯(O,Br) hydrogen bonds link the cations and anions into a two-dimensional network parallel to the ab plane. ...[more]

PMID: 21577860

Similar Datasets

(S)-1-Methoxy-carbonyl-2-(4-nitro-phen-yl)ethanaminium chloride.

Project description:The title compound, C(10)H(13)N(2)O(4) (+)·Cl(-), comprises a Cl(-) anion and a protonated aminium cation. The crystal packing is stabilized by cation-anion N-H⋯Cl hydrogen bonds and N-H⋯O hydrogen bonds, building an infinite two-dimensional network parallel to the (001) plane. The S absolute configuration at the chiral center was deduced from the synthetic pathway and confirmed by the X-ray analysis.

| S-EPMC2962090 | biostudies-literature

(2S,NS)-N-Allyl-N-benzyl-1-hydr-oxy-3-(4-hydroxy-phen-yl)-N-methyl-propan-2-aminium bromide.

Project description:The title compound, C(20)H(26)NO(2) (+)·Br(-), is an N-chiral quaternary ammonium salt synthesized from (2S*)-N-benzyl-N-methyl-tyrosine methyl ester. The dihedral angle between the phenyl ring and the benzene ring is 11.61 (19)°. In the crystal structure, the allyl group is disordered over two positions with site occupancy factors of ca 0.8 and 0.2. The bromide anion links to the quaternary ammonium cations via O-H⋯Br hydrogen bonding. An intramolecular O-H⋯Br hydrogen bond is also observed.

| S-EPMC2962230 | biostudies-literature

N-[2-(2-Chloro-phen-yl)-2-hydroxy-ethyl]propan-2-aminium chloride.

Project description:In the title compound, C(11)H(17)ClNO(+)·Cl(-), the side chain of the ethyl-amine group is orientated approximately perpendicular to the benzene ring, the dihedral angle between the C/C/N plane of the ethyl-amine group and the benzene plane being 83.5?(3)°. In the crystal structure, inter-molecular O-H?Cl and N-H?Cl hydrogen bonds are observed. The crystal studied was an inversion twin with a 0.51?(10):0.49?(10) domain ratio.

| S-EPMC2970127 | biostudies-literature

N-[2-(2-Chloro-phen-yl)-2-hydroxy-ethyl]propan-2-aminium hemioxalate.

Project description:The asymmetric unit of the title compound, C(11)H(17)ClNO(+)·0.5C(2)O(4) (2-), consists of one N-[2-(2-chloro-phen-yl)-2-hydroxy-ethyl]propan-2-ammonium cation and one-half of a centrosymmetric oxalate anion. In the cation, the C/C/N plane of the ethyl-ammonium group is almost perpendicular to the benzene ring, with a dihedral angle of 88.72?(17)°. In the crystal structure, the two components are connected by O-H?O and N-H?O hydrogen bonds, forming a supra-molecular tape along the a axis. Between the tapes, a C-H?O inter-action is observed.

| S-EPMC2969379 | biostudies-literature

3-(1H-Benzotriazol-1-yl)-1-(3-methoxy-phen-yl)propan-1-one.

Project description:In the title mol-ecule, C(16)H(15)N(3)O(2), the benzotriazole fragment and the benzene ring form a dihedral angle of 75.02?(1)°. In the crystal structure, mol-ecules related by translation along the a axis are linked into chains via weak C-H?? inter-actions.

| S-EPMC2968644 | biostudies-literature

N-[(2-Hydr-oxy-5-methoxy-phen-yl)(3-nitro-phen-yl)meth-yl]acetamide.

Project description:In the title compound, C(16)H(16)N(2)O(5), the meth-oxy group is disordered with site occupancies of 0.20 (3) and 0.80 (3). The dihedral angle between the two aromatic rings is 73.7 (2)°. The crystal structure is characterized by intermolecular N-H⋯O, O-H⋯O, C-H⋯O and C-H⋯π hydrogen bonds.

| S-EPMC2968863 | biostudies-literature

2-[(4-Methoxy-phen-yl)imino-meth-yl]-4-nitro-phenol.

Project description:The title Schiff base compound, C(14)H(12)N(2)O(4), is in an inter-mediate state between NH and OH tautomers. Apart from the intra-molecular O-H⋯N hydrogen bond, there are inter-molecular C-H⋯O hydrogen bonds, generating centrosymmetric R(2) (2)(18) and R(2) (2)(14) dimers.

| S-EPMC2968952 | biostudies-literature

2,3-Dibromo-3-(5-nitro-2-fur-yl)-1-(4-nitro-phen-yl)propan-1-one.

Project description:In the title compound, C(13)H(8)Br(2)N(2)O(6), the 2-furyl ring is essentially planar, with a maximum deviation of 0.002?(2)?Å. It is inclined at an angle of 33.94?(9)° to the benzene ring. Both nitro groups are slightly twisted away from their attached rings; the dihedral angles are 4.6?(2)° between the nitro group and the 2-furyl ring, and 13.72?(19)° between the nitro group and the benzene ring. In the crystal, mol-ecules are linked into chains along [110] and [10] via two pairs of inter-molecular C-H?O hydrogen bonds, displaying R(2) (2)(10) ring motifs.

| S-EPMC3011702 | biostudies-literature

N-[2-(2-Chloro-phen-yl)-2-hy-droxy-eth-yl]propan-2-aminium 4-methyl-benzoate.

Project description:The title compound, C(11)H(17)ClNO(+)·C(8)H(7)O(2) (-), was obtained by the reaction of chlorprenaline {or 1-(2-chloro-phen-yl)-2-[(1-methyl-eth-yl)amino]-ethanol} and p-toluic acid. The chlorpren-aline is twisted moderately with a C-C-C-C torsion angle of 109.6 (2)°. The two mol-ecules are linked by classical O-H⋯O and N-H⋯O hydrogen bonds. Further N-H⋯O hydrogen bonds link two of these units into dimers.

| S-EPMC2983265 | biostudies-literature

2,3-Dibromo-3-(4-chloro-phen-yl)-1-(4-nitro-thio-phen-2-yl)propan-1-one.

Project description:The title compound, C(13)H(8)Br(2)ClNO(3)S, exhibits whole-mol-ecule disorder over two orientations in a 0.805 (6):0.195 (6) ratio. The dihedral angles between the thio-phene ring [maximum deviations = 0.017 (4) and 0.033 (9) Å for the major and minor components, respectively] and the chloro-substituted phenyl ring are 32.1 (5) (major component) and 26.3 (18)° (minor component). In the crystal, C-H⋯Cl and C-H⋯O hydrogen bonds link the mol-ecules into sheets lying parallel to the bc plane. Aromatic π-π stacking inter-actions [centroid-centroid distance = 3.550 (7) Å] are also observed.

| S-EPMC3435703 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data