Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-2-(4-Diethyl-amino-2-hydroxy-benzyl-idene-amino)benzonitrile.

ABSTRACT: The mol-ecule of the title compound, C(18)H(19)N(3)O, displays a trans configuration with respect to the C=N double bond. The dihedral angle between the planes of the two benzene rings is 2.62?(11)°. A strong intra-molecular O-H?N hydrogen bond stabilizes the mol-ecular conformation.

SUBMITTER: Wang XC

PROVIDER: S-EPMC2983696 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-2-(4-Diethyl-amino-2-hydroxy-benzyl-idene-amino)benzonitrile.

Wang Xing-Cong XC Xu Hua H Qian Kun K

Acta crystallographica. Section E, Structure reports online 20100206 Pt 3

The mol-ecule of the title compound, C(18)H(19)N(3)O, displays a trans configuration with respect to the C=N double bond. The dihedral angle between the planes of the two benzene rings is 2.62 (11)°. A strong intra-molecular O-H⋯N hydrogen bond stabilizes the mol-ecular conformation. ...[more]

PMID: 21580300

Similar Datasets

4-(2-Hydroxy-benzyl-idene-amino)-benzonitrile.

Project description:The mol-ecule of the title compound, C(14)H(10)N(2)O, is nearly planar. There is a strong intra-molecular O-H?N hydrogen bond between the imine and hydr-oxy groups. The configuration with respect to the C=N double bond is anti (1E).

| S-EPMC2961783 | biostudies-literature

(E)-3-[(4-Diethyl-amino-2-hydroxy-benzyl-idene)amino]benzonitrile.

Project description:The mol-ecule of the title compound, C(18)H(19)N(3)O, displays a trans configuration with respect to the C=N double bond. There is a strong intra-molecular O-H?N hydrogen-bonding inter-action between the hydr-oxy group and imine N atom. The dihedral angle between the aromatic rings is 30.35?(8)°. The crystal packing is stabilized by O-H?N links.

| S-EPMC2972081 | biostudies-other

(E)-4-[(4-Diethyl-amino-2-hy-droxy-benzyl-idene)amino]-benzonitrile.

Project description:The title compound, C(18)H(19)N(3)O, displays an E conformation with respect to the C=N double bond. The dihedral angle between the mean planes of the two benzene rings is 24.49 (3)°. An intra-molecular O-H⋯N hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked by nonclassical inter-molecular C-H⋯O hydrogen bonds to form an infinite one-dimensional chain along [010], generating a C(8) motif.

| S-EPMC3297948 | biostudies-literature

(E)-2-[(5-Bromo-2-hydroxy-benzyl-idene)amino]benzonitrile.

Project description:In the mol-ecule of the title compound, C(14)H(9)BrN(2)O, the dihedral angle between the aromatic rings is 1.09?(4)°. Intra-molecular O-H?N hydrogen bonding results in the formation of a planar (r.m.s. deviation = 0.0140?Å) six-membered ring. In the crystal structure, inter-molecular C-H?N inter-actions link the mol-ecules into chains.

| S-EPMC2977325 | biostudies-literature

(E)-2-[(3,5-Di-tert-butyl-2-hydroxy-benzyl-idene)amino]benzonitrile.

Project description:The asymmetric unit of the title compound, C(22)H(26)N(2)O, contains three crystallographically independent mol-ecules, in which the aromatic rings are oriented at dihedral angles of 21.74?(5), 27.59?(5) and 27.87?(5)°. Intra-molecular O-H?N hydrogen bonds result in the formation of planar six-membered rings, and these are nearly coplanar with the adjacent rings. In the crystal structure, ?-? contacts between the benzene rings [centroid-centroid distances = 3.989?(2), 3.802?(1) and 3.882?(1)?Å] may stabilize the structure.

| S-EPMC2969623 | biostudies-literature

4-[(4-Diethyl-amino-2-hydroxy-benzyl-idene)ammonio]-3-methyl-benzene-sulfonate.

Project description:In the zwitterionic title compound, C(18)H(22)N(2)O(4)S, the dihedral angle between the aromatic rings is 16.39?(11)° and an intra-molecular N-H?O hydrogen bond occurs. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, forming chains propagating in [01].

| S-EPMC2971024 | biostudies-literature

4-(4-Diethyl-amino-2-hydroxy-benzyl-idene-ammonio)-3-methyl-benzene-sulfonate dihydrate.

Project description:In the crystal of the title compound, C(18)H(22)N(2)O(4)S·2H(2)O, mol-ecules are linked into a one-dimensional chain structure by C-H?O, N-H?O, O-H?O and O-H?N hydrogen bonds.

| S-EPMC2970384 | biostudies-literature

2-[4-(Diethyl-amino)-benzyl-idene]malono-nitrile.

Project description:In the title compound, C(14)H(15)N(3), the diethyl-amino N atom, benzene ring, olefinic bond and cyano groups form an extended conjugated system, making the mol-ecule nearly planar: the dihedral angle between the benzene ring and the best plane throught the cyano groups is 4.93?(10)°, while the dihedral angle between the benzene ring and the plane through the diethyl-amino N atom and the two attached ethyl C atoms is 9.51?(14)°. In the crystal, inter-molecular C-H?? inter-actions stabilize the packing.

| S-EPMC3120336 | biostudies-literature

4-Chloro-N-[4-(diethyl-amino)benzyl-idene]aniline.

Project description:The asymmetric unit of the title compound, C(17)H(19)ClN(2), contains two independent mol-ecules which differ by a 180° flip in the orientation of the 4-chloro-aniline unit with respect to the diethyl-amino-benzyl-idene unit [N=C-C-C = 10.0?(3) and -170.6?(2)°]. The dihedral angles between the two aromatic rings are 64.0?(1) and 66.5?(1)° in the two independent mol-ecules.

| S-EPMC2979698 | biostudies-literature

(E)-3-(2-Hydr-oxy-4-methoxy-benzyl-idene-amino)benzonitrile.

Project description:In the mol-ecule of the title compound, C(15)H(12)N(2)O(2), the aromatic rings are oriented at a dihedral angle of 28.11?(3)°. Intra-molecular O-H?N hydrogen bonding results in the formation of a planar six-membered ring, which is nearly coplanar with the adjacent ring at a dihedral angle of 1.53?(3)°. In the crystal structure, ?-? contacts between the benzene rings [centroid-centroid distance = 3.841?(1)?Å] may stabilize the structure.

| S-EPMC2969199 | 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