Browse
Submit Data
Databases
API
Help

Dataset Information

6 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-2-[(2-Formyl-phen-oxy)meth-yl]-3-(4-iso-propyl-phen-yl)acrylo-nitrile.

ABSTRACT: In the title compound, C20H19NO2, the dihedral angle between the benzene rings is 77.12?(8)°. The terminal isopropyl group is disordered over two orientations, with site occupancies of 0.720?(14) and 0.280?(14). In the crystal, mol-ecules are linked through a weak C-H?O inter-action, forming a zigzag chain along the c-axis direction.

SUBMITTER: Kanchanadevi J

PROVIDER: S-EPMC3793832 | biostudies-other | 2013

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

(E)-2-[(2-Formyl-phen-oxy)meth-yl]-3-(4-iso-propyl-phen-yl)acrylo-nitrile.

Kanchanadevi J J Anbalagan G G Selvakumar R R Bakthadoss M M Gunasekaran B B Manivannan V V

Acta crystallographica. Section E, Structure reports online 20130731 Pt 8

In the title compound, C20H19NO2, the dihedral angle between the benzene rings is 77.12 (8)°. The terminal isopropyl group is disordered over two orientations, with site occupancies of 0.720 (14) and 0.280 (14). In the crystal, mol-ecules are linked through a weak C-H⋯O inter-action, forming a zigzag chain along the c-axis direction. ...[more]

PMID: 24109419

Similar Datasets

(E)-2-[(2-Formyl-phen-oxy)meth-yl]-3-(4-methyl-phen-yl)prop-2-ene-nitrile.

Project description:In the title compound, C(18)H(15)NO(2), the dihedral angle between the two benzene rings is 74.8?(1)°. The carbonitrile chain is almost linear, the C-C-N angle being 176.2?(2)°. In the crystal, ?-? inter-actions [centroid-centroid distance = 3.842?(1)?Å] are observed.

| S-EPMC3254392 | biostudies-literature

(E)-2-(2-Formyl-phen-oxy-meth-yl)-3-phenyl-prop-2-ene-nitrile.

Project description:In the title compound, C(17)H(13)NO(2), the dihedral angle between the benzene and the phenyl ring is 65.92?(7)°. The carbonitrile side chain is almost linear, the C-C-N angle being 175.55?(14)°. The crystal structure is stabilized by inter-molecular C-H?O inter-actions.

| S-EPMC3213455 | biostudies-literature

(4-Meth-oxy-phen-yl)(4-propyl-cyclo-hex-yl)methanone.

Project description:The asymmetric unit of the title compound, C17H24O2, contains two independent mol-ecules with different conformations. The least-squares plane through the cyclohexane ring makes dihedral angles of 52.9?(5) and 81.4?(4)° with the benzene ring in the two molecules. The cyclo-hexane ring adopts a chair conformation in both mol-ecules. In the crystal, weak C-H?O hydrogen bonds link mol-ecules related by translation in [100] into two crystallographically independent chains.

| S-EPMC3588551 | biostudies-literature

N-(2-Formyl-phen-yl)-4-meth-oxy-N-(4-meth-oxy-phenyl-sulfon-yl)benzene-sulfonamide.

Project description:In the title compound, C(21)H(19)NO(7)S(2), the dihedral angles between the formyl-phenyl ring and the two meth-oxy-phenyl rings are 33.87 (9) and 41.00 (10)°. The S atoms have a distorted tetra-hedral geometry and the N atom shows a trigonally planar [r.m.s. deviation = 0.0437 (13) Å] coordination. The crystal structure is stabilized by inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3238957 | biostudies-literature

(E)-Methyl 2-[(2-formyl-6-meth-oxy-phen-oxy)meth-yl]-3-phenyl-acrylate.

Project description:The title compound, C(19)H(18)O(5), crystallizes with two independent mol-ecules (A and B) in an asymmetric unit in both of which the two aromatic rings are in a bis-ectional orientation as evidenced by the dihedral angle between them [41.7?(1)° in mol-ecule A and 35.6?(1)° in mol-ecule B]. Both mol-ecules adopt an E configuration with respect to the C=C bond. An intra-molecular C-H?O hydrogen-bond occurs in mol-ecule A. The crystal packing features inter-molecular C-H?O inter-actions.

| S-EPMC3254561 | biostudies-literature

3,5-Dimeth-oxy-2-[(4-propyl-phen-yl)imino-meth-yl]phenol.

Project description:The title compound, C(18)H(21)NO(3), crystallizes in the phenol-imine tautomeric form, with the H atom attached to oxygen rather than on nitro-gen. This H atom is involved in a strong intra-molecular O-H⋯N hydrogen bond. A C-H⋯π inter-action is also present. The dihedral angle between the aromatic rings is 12.23 (7)°.

| S-EPMC2968940 | biostudies-literature

(Z)-Methyl 3-(2,4-dichloro-phen-yl)-2-[(2-formyl-phen-oxy)meth-yl]acrylate.

Project description:In the title compound, C(18)H(14)Cl(2)O(4), the mean planes of the methyl acrylate unit and the phenyl ring of the benzaldehyde are approximately orthogonal to each other, making a dihedral angle of 83.31?(6)°. The O atom of the aldehyde group is displaced significantly from the phenyl ring plane by 0.226?(2)?Å. The methyl acrylate group adopts an E conformation. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds generate R(2) (2)(24) loops.

| S-EPMC3201315 | biostudies-literature

6-Meth-oxy-4-(2,4,5-tri-meth-oxy-phen-yl)-2,2'-bi-pyridine-5-carbo-nitrile.

Project description:In the title 3-cyano-pyridine derivative, C21H19N3O4, the 3-cyano-substituted pyridine ring forms dihedral angles of 2.35?(5) and 41.60?(5)° with the unsubstituted pyridine and 2,4,5-trimeth-oxy-substituted benzene rings, respectively. The dihedral angle between the unsubstituted pyridine and benzene rings is 39.84?(5)°. The meth-oxy groups form Cmeth-yl-O-C-(C,N) torsion angles in the range 0.80?(15)-11.45?(15)°. In the crystal, mol-ecules related by 21 screw axes are linked by weak C-H?N hydrogen bonds along [010]. In addition, weak C-H?? inter-actions and ?-? stacking inter-actions between pyridine rings, with a centroid-centroid distance of 3.6448?(6)?Å, are observed.

| S-EPMC3790375 | biostudies-literature

2-(4-Meth-oxy-phen-yl)-4-oxo-4-phenyl-butane-nitrile.

Project description:The title mol-ecule, C(17)H(15)NO(2), is twisted, the dihedral angle between the terminal benzene rings being 63.30?(6)°. In the crystal, C-H?O and C-H?N inter-actions lead to supra-molecular layers in the ab plane. These are connected along the c axis via C-H?? inter-actions.

| S-EPMC3295506 | biostudies-literature

6-(4-Amino-phen-yl)-2-meth-oxy-4-phenyl-nicotino-nitrile.

Project description:In the structure of the title nicotino-nitrile derivative, C19H15N3O, the pyridine ring makes dihedral angles of 11.50?(7) and 43.36?(8)° with the 4-amino-phenyl and phenyl rings, respectively, and the dihedral angle between the phenyl rings is 36.28°. In the crystal, mol-ecules are linked by N-H?N hydrogen bonds into wave-like sheets parallel to (10-2). These sheets are stacked by ?-? inter-actions between the 4-amino-phenyl rings of adjacent sheets, with centroid-centroid distances of 3.7499?(9)?Å. C-H?? inter-actions are also present.

| S-EPMC3885069 | 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