Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Anilinium 3-(4-hy-droxy-3-meth-oxy-phenyl)prop-2-enoate.

ABSTRACT: The structure of the title salt, C(6)H(8)N(+)·C(10)H(9)O(4) (-), is stabilized by N-H?O and O-H?O hydrogen bonding between 3-(4-hy-droxy-3-meth-oxy-phen-yl)prop-2-enoate anions and anilinium cations, which links the components into a two-dimensional array.

SUBMITTER: Zhu LC

PROVIDER: S-EPMC3009012 | biostudies-literature | 2010

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Anilinium 3-(4-hy-droxy-3-meth-oxy-phenyl)prop-2-enoate.

Zhu Li-Cai LC

Acta crystallographica. Section E, Structure reports online 20101031 Pt 11

The structure of the title salt, C(6)H(8)N(+)·C(10)H(9)O(4) (-), is stabilized by N-H⋯O and O-H⋯O hydrogen bonding between 3-(4-hy-droxy-3-meth-oxy-phen-yl)prop-2-enoate anions and anilinium cations, which links the components into a two-dimensional array. ...[more]

PMID: 21589168

Similar Datasets

Ammonium (E)-3-(4-hy-droxy-3-meth-oxy-phen-yl)prop-2-enoate monohydrate.

Project description:In structure of the title compound ammonium ferulate monohydrate, NH(4) (+)·C(10)H(9)O(4) (-)·H(2)O, O-H?O and N-H?O hydrogen bonds link the ammonium cations, ferulate anions and water mol-ecules into a three-dimensional array. The ferulate anion is approximately planar, with a maximum deviation of 0.307?(2)?Å.

| S-EPMC3009321 | biostudies-literature

2-Meth-oxy-anilinium 3-hy-droxy-2,4,6-trinitro-phenolate.

Project description:The cation and anion of the title mol-ecular salt, C(7)H(10)NO(+)·C(6)H(2)N(3)O(8) (-), are linked via an N-H?O hydrogen bond. An intra-molecular O-H?O hydrogen bond is also found in the anion. In the crystal, the anions self-assemble via O-H?O hydrogen bonds, forming a C(9) supra-molecular chain the b axis. Further inter-molecular N-H?O inter-actions also occur.

| S-EPMC3052155 | biostudies-literature

(E)-1-[2-Hy-droxy-4,6-bis-(meth-oxy-meth-oxy)phen-yl]-3-phenyl-prop-2-en-1-one.

Project description:The title compound, C19H20O6, consists of a tetra-substituted benzene ring with one substituent being an ?,?-unsaturated cinnamoyl group, which forms an extended conjugated system in the mol-ecule. In addition, two meth-oxy-meth-oxy and one hy-droxy group are bonded to the central benzene ring. The dihedral angle between eh rings is 10.22?(10)°. An intra-molecular hydrogen bond is observed between the hy-droxy group and the carbonyl O atom. One of the meth-oxy-meth-oxy substituents is conformationally disordered over two sets of sites with site-occupation factors of 0.831?(3) and 0.169?(3).

| S-EPMC3648248 | biostudies-literature

Methyl (2Z)-2-({N-[2-(hy-droxy-meth-yl)phen-yl]-4-methyl-benzene-sulfonamido}-meth-yl)-3-phenyl-prop-2-enoate.

Project description:In the title compound, C(25)H(25)NO(5)S, the O atom of the hy-droxy group is disordered over two positions, with occupancies of 0.820?(2) and 0.180?(2). The sulfonyl-bound benzene ring forms dihedral angles of 31.8?(1) and 60.7?(1)°, respectively, with the hy-droxy-methyl-benzene and phenyl rings. The mol-ecular conformation is stabilized by an intra-molecular O-H?O hydrogen bond, generating an S(8) ring motif. The crystal packing is stabilized by inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions.

| S-EPMC3275177 | biostudies-literature

2-[Hy-droxy(2-meth-oxy-phenyl)methyl]acrylonitrile.

Project description:In the title compound, C(11)H(11)NO(2), the mean planes formed by the benzene ring and the C and N atoms of the acryl group are almost orthogonal to each other, with a dihedral angle of 85.7 (1)°. During the structure analysis, it was observed that the unit cell contains large accessible voids, with a volume of 186.9 Å(3), which may host disordered solvent mol-ecules. This affects the diffraction pattern, mostly at low scattering angles. Density identified in these solvent-accessible areas was calculated and corrected for using the SQUEEZE routine in PLATON [Spek (2009 ▶), Acta Cryst. D65, 148-155]. Despite the presence of the hy-droxy group in the mol-ecule, no classical or nonclassical hydrogen bonds are observed in the structure. This may reflect the fact that the O-H group points towards the solvent-accessible void.

| S-EPMC3414923 | biostudies-literature

4-Chloro-anilinium 3-carb-oxy-prop-2-enoate.

Project description:In the title compound, C(6)H(7)ClN(+)·C(4)H(3)O(4) (-), the cations and anions lie on mirror planes and hence only half of the mol-ecules are present in the asymmeric unit. The 4-chloro-anilinium cation and hydrogen maleate anion in the asymmetric unit are each planar and are oriented at an angle of 15.6 (1)° to one another and perpendicular to the b axis. A characterestic intra-molecular O-H⋯O hydrogen bond, forming an S(7) motif, is observed in the maleate anion. In the crystal, the cations and anions are linked by N-H⋯O hydrogen bonds, forming layers in the ab plane. The aromatic rings of the cations are sandwiched between hydrogen-bonded chains and rings formed through the amine group of the cation and maleate anions, leading to alternate hydro-phobic (z = 0 or 1) and hydro-philic layers (z = 1/2) along the c axis.

| S-EPMC3343938 | biostudies-literature

2-Hy-droxy-N-(4-meth-oxy-benz-yl)-4-nitro-anilinium chloride.

Project description:The crystal structure of the title compound, C(14)H(15)N(2)O(4) (+)·Cl(-), can be described as being composed of layers containing both cations and anions that are staggered along [010]. Two types of the hydrogen bonds are observed, viz. cation-anion and cation-cation. The chloride anions are acceptors of the strong hydrogen bonds donated by the secondary amine and the hy-droxy groups. The packing is also stabilized by weak C-H?O inter-molecular hydrogen bonds. An intra-molecular N-H?O inter-action also occurs.

| S-EPMC3213600 | biostudies-literature

4-Hy-droxy-3-meth-oxy-benzaldehyde 4-phenyl-thio-semicarbazone.

Project description:In the title compound, C15H15N3O2S, the central C-N-N-C unit has an anti conformation [torsion angle = -170.17?(15)°]. The phenyl substituent is oriented perpendicular to this unit [dihedral angle of 89.2?(1)°], whereas the substituted ring is rotated out of this plane by only 18.86?(17)°. In the crystal, mol-ecules are linked by pairs of N-H?S hydrogen bonds into inversion dimers that are further connected via N-H?O and O-H?S hydrogen bonds into a three-dimensional network.

| S-EPMC3998432 | biostudies-literature

(E)-3-[4-(Di-fluoro-meth-oxy)-3-hy-droxy-phen-yl]-1-phenyl-prop-2-en-1-one.

Project description:In the title compound, C16H12F2O3, the plane of the phenyl ring makes a dihedral angle of 3.22?(8)° with that of the benzene ring. The mol-ecule has an E conformation about the C=C bond. In the crystal, mol-ecules are linked via pairs of O-H?O hydrogen bonds, forming inversion dimers which are further consolidated by a pair of C-H?O hydrogen bonds. The dimers are linked via C-H?O hydrogen bonds, forming columns along the b-axis direction.

| S-EPMC3648329 | biostudies-literature

4-Hy-droxy-anilinium 2-carb-oxy-acetate.

Project description:In the title compound, C(6)H(8)NO(+)·C(3)H(3)O(4) (-), the amino N atom is protonated, and one of the carboxyl groups is deprotonated to maintain the charge balance. In the crystal, classical N-H?O and O-H?O hydrogen bonds connect the ions into a two-dimensional network parallel to the ac plane. In addition, the structure is further stabilized by C-H?O and ?-? inter-actions [centroid-centroid distance = 4.115?(2)?Å].

| S-EPMC3379490 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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