Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Zhou JC

PROVIDER: S-EPMC2977325 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Zhou Jian-Cheng JC Li Nai-Xu NX Zhang Chuan-Ming CM Zhang Zheng-Yun ZY

Acta crystallographica. Section E, Structure reports online 20090722 Pt 8

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. ...[more]

PMID: 21583629

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)-2-(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. 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.

| S-EPMC2983696 | 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

(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

4-{2-[(5-Bromo-2-hydroxy-benzyl-idene)amino]eth-yl}benzene-sulfonamide.

Project description:In the title compound, C(15)H(15)BrN(2)O(3)S, the dihedral angle between the benzene rings is 6.1?(2)° and an intra-molecular O-H?N hydrogen bond helps to establish the conformation. In the crystal structure, the mol-ecules are linked by way of N-H?O and C-H?O hydrogen bonds.

| S-EPMC2970355 | biostudies-literature

N'-(5-Bromo-2-hydroxy-benzyl-idene)-3-hydroxy-benzohydrazide.

Project description:The asymmetric unit of the title compound, C(14)H(11)BrN(2)O(3), contains two crystallographically independent mol-ecules with slightly different conformations with respect to the aromatic rings; the dihedral angles between the two benzene rings in the two mol-ecules are 55.0 (7) and 16.3 (7)°. In the crystal structure, mol-ecules are linked through inter-molecular N-H⋯O, O-H⋯O and O-H⋯N hydrogen bonds, forming chains running along the a axis.

| S-EPMC2960470 | biostudies-literature

3-Bromo-N'-(2-hydroxy-benzyl-idene)benzohydrazide.

Project description:The title mol-ecule, C(14)H(11)BrN(2)O(2), displays a trans configuration about the C=N and C-N bonds. The dihedral angle between the two benzene rings is 18.5 (3)°. An intra-molecular O-H⋯N hydrogen bond is observed. In the crystal structure, the mol-ecules are linked into a chain along the c axis by N-H⋯O and C-H⋯O hydrogen bonds.

| S-EPMC2960222 | biostudies-literature

(E)-3-Bromo-N'-(5-bromo-2-hydroxy-benzyl-idene)benzohydrazide.

Project description:The title compound, C(14)H(10)Br(2)N(2)O(2), was synthesized by the reaction of 5-bromo-salicylaldehyde with an equimolar quantity of 3-bromo-benzohydrazide in methanol. The dihedral angle between the two benzene rings is 10.5 (4)°. In the crystal structure, mol-ecules are linked through inter-molecular N-H⋯O hydrogen bonds to form chains parallel to the c axis, and an intra-molecular O-H⋯N inter-action also occurs.

| S-EPMC2959678 | biostudies-literature

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

Project description:The mol-ecule of the title compound, C(22)H(26)N(2)O, displays a trans configuration with respect to the C=N double bond. The dihedral angle between the planes of the two aromatic rings is 26.30 (15)°. There is a strong intra-molecular O-H⋯N hydrogen bond between the imine and hydroxyl groups.

| S-EPMC2977811 | biostudies-literature

(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

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