Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-[(4-Formyl-phen-yl)(hy-droxy)meth-yl]acrylonitrile.

ABSTRACT: In the title compound, C(11)H(9)NO(2), the mean planes formed by the phenyl and acryl group are almost orthogonal to each other, with a dihedral angle of 88.61?(7)°. The carbonitrile side chain is almost linear, the C-C-N angle being 179.54?(16)°. In the crystal, mol-ecules are linked by inter-molecular O-H?O inter-actions into infinite chains running parallel to the b axis.

SUBMITTER: Prasanna CM

PROVIDER: S-EPMC3213610 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-[(4-Formyl-phen-yl)(hy-droxy)meth-yl]acrylonitrile.

Prasanna C M Sai CM Sethusankar K K Rajesh R R Raghunathan R R

Acta crystallographica. Section E, Structure reports online 20110730 Pt 8

In the title compound, C(11)H(9)NO(2), the mean planes formed by the phenyl and acryl group are almost orthogonal to each other, with a dihedral angle of 88.61 (7)°. The carbonitrile side chain is almost linear, the C-C-N angle being 179.54 (16)°. In the crystal, mol-ecules are linked by inter-molecular O-H⋯O inter-actions into infinite chains running parallel to the b axis. ...[more]

PMID: 22091187

Similar Datasets

(E)-2-({2-[(E)-(Hy-droxy-imino)-meth-yl]phen-oxy}meth-yl)-3-o-tolyl-acrylonitrile.

Project description:In the title compound, C(18)H(16)N(2)O(2), the dihedral angle between the mean planes through the two benzene rings is 56.8?(6)°. The enoate group assumes an extended conformation. The hy-droxy-ethanimine group is essentially coplanar with the benzene ring, the largest deviation from the mean plane being 0.047?(1)?Å for the hy-droxy-imino O atom. In the crystal, the mol-ecules are linked into cyclic centrosymmetric dimers with R(2) (2)(6) motifs via O-H?N hydrogen bonds.

| S-EPMC3275232 | biostudies-literature

(E)-2-({2-[(E)-(Hy-droxy-imino)-meth-yl]phen-oxy}meth-yl)-3-p-tolyl-acrylonitrile.

Project description:In the title compound, C(18)H(16)N(2)O(2), the hy-droxy-ethanimine group is essentially coplanar with the ring to which it is attached (C-C-N-O torsion angle = -176.9°). Mol-ecules are linked into cyclic centrosymmetric R(2) (2)(6) dimers via O-H?N hydrogen bonds.

| S-EPMC3297297 | biostudies-literature

2-{Hy-droxy[1-(4-meth-oxy-phen-yl)-4-oxo-3-phenyl-azetidin-2-yl]meth-yl}acrylonitrile.

Project description:In the title compound, C(20)H(18)N(2)O(3), the β-lactam ring is essentially planar, having a maximum deviation of 0.0291 (15) Å for the N atom, and perpendicular to the phenyl ring [dihedral angle = 85.55 (11)°]. The carbonitrile side chain is almost linear, the C-C-N angle being 176.8 (2)°. The crystal packing is stabilized by inter-molecular O-H⋯O and C-H⋯O inter-actions.

| S-EPMC3200613 | biostudies-literature

3-[(2-Formyl-thio-phen-3-yl)(hy-droxy)meth-yl]thio-phene-2-carbaldehyde.

Project description:In the title compound, C(11)H(8)O(3)S(2), the dihedral angle between the mean planes of the two thio-phene rings is 65.10?(10)°. Intra-molecular C-H?O inter-actions form S(6) and S(7) ring motifs. In the crystal, chains along the a axis are formed by C-H?O inter-actions. Adjacent chains are connected into a three-dimensional network by C-H?O and O-H?O inter-actions.

| S-EPMC3254520 | biostudies-literature

(E)-2-({2-[(E)-(Hy-droxy-imino)-meth-yl]phen-oxy}meth-yl)-3-phenyl-acrylonitrile.

Project description:In the title compound, C(17)H(14)N(2)O(2), the hy-droxy-ethanimine group adopts an anti-periplanar conformation. In the crystal, mol-ecules are linked by O-H?N hydrogen bonds, forming zigzag chains running along the c axis.

| S-EPMC3297320 | biostudies-other

2-((E)-{[4-(Hy-droxy-meth-yl)phen-yl]imino}-meth-yl)phenol.

Project description:The title compound, C(14)H(13)NO(2), adopts the enol-imine tautomeric form, with an intra-molecular O-H?N hydrogen bond which generates an S(6) ring motif. The dihedral angle between the aromatic rings is 7.85?(7)°. The crystal structure is stabilized by O-H?O, O-H?N and C-H?O hydrogen bonds, forming a two-dimensional array that stacks along the a axis. In addition, a C-H?? inter-action contributes to the stabilization of the crystal packing.

| S-EPMC3379224 | biostudies-literature

2-[(2-Chloro-phen-yl)(hy-droxy)meth-yl]phenol.

Project description:In the title compound, C13H11ClO2, the dihedral angle between the mean planes of the 2-chloro-phenyl and phenol rings is 87.4?(9)°. The methyl hy-droxy group lies nearly perpendicular to the plane of its attached benzene ring [O-C-C-C torsion angle = 84.3?(3)°]. The two hy-droxy groups lie on the same side of the mol-ecule and are in a slightly twisted gauche conformation [O-C-C-O torsion angle = 77.1?(8)°] to each other. In the crystal, O-H?O hydrogen bonds between nearby methyl-hydroxy groups form dimers in alternating pairs aligned diagonally along the b axis. A view along the c axis reveals a hexa-meric aggregate mediated by a ring of six O-H?O hydrogen bonds generating an R 6 (6)(12) motif loop.

| S-EPMC3793743 | biostudies-literature

1-[3-(Hy-droxy-meth-yl)phen-yl]-3-phenyl-urea.

Project description:In the title compound, C(14)H(14)N(2)O(2), the dihedral angle between the benzene rings is 23.6?(1)°. The H atoms of the urea NH groups are positioned syn to each other. In the crystal, inter-molecular N-H?O and O-H?O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC3213536 | biostudies-literature

4-Bromo-2-({4-[(hy-droxy-imino)-meth-yl]phen-yl}imino-meth-yl)phenol.

Project description:In the title compound, C(14)H(11)BrN(2)O(2), the mean planes of the two benzene rings are almost parallel to each other, making a dihedral angle of 4.09?(1)°. An intra-molecular O-H?N hydrogen bond occurs. In the crystal, inter-molecular O-H?N and C-H?O hydrogen bonds link the mol-ecules into a chain-like supra-molecular structure.

| S-EPMC3007216 | biostudies-literature

(E)-3-(4-Hy-droxy-3-meth-oxy-phen-yl)-1-(4-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C16H14O4, there is an intra-molecular O-H?O hydrogen bond. The benzene rings are inclined to one another by 13.89?(9)°. The prop-2-en-1-one group is twisted slightly, the O=C-Car-Car (ar = aromatic) and C=C-C=O torsion angles being -10.4?(3) and -7.4?(3)°, respectively. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, forming chains along [100]. These chains are further linked by O-H?O hydrogen bonds, forming corrugated sheets lying parallel to (010). There are C-H?? inter-actions present within the sheets.

| S-EPMC4011235 | 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