Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(2H-Benzotriazol-2-yl)-6-[(diethyl-amino)meth-yl]-4-methyl-phenol.

ABSTRACT: In the title compound, C(18)H(22)N(4)O, the dihedral angle between the planes of the benzotriazol unit and the phenyl ring of the phen-oxy group is 6.4?(2)°. There is an intra-molecular O-H?N hydrogen bond between the phenol and benzotriazol groups.

SUBMITTER: Li JY

PROVIDER: S-EPMC2970431 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2-(2H-Benzotriazol-2-yl)-6-[(diethyl-amino)meth-yl]-4-methyl-phenol.

Li Jia-Ying JY Liu Yi-Chang YC Lin Chia-Her CH Ko Bao-Tsan BT

Acta crystallographica. Section E, Structure reports online 20090916 Pt 10

In the title compound, C(18)H(22)N(4)O, the dihedral angle between the planes of the benzotriazol unit and the phenyl ring of the phen-oxy group is 6.4 (2)°. There is an intra-molecular O-H⋯N hydrogen bond between the phenol and benzotriazol groups. ...[more]

PMID: 21577927

Similar Datasets

(E)-2-(2H-Benzotriazol-2-yl)-4-methyl-6-(phenyl-imino-meth-yl)phenol.

Project description:In the title compound, C(20)H(16)N(4)O, the non-H atoms of the benzotriazole ring system and those of the methyl-phenol group are essentially coplanar, with an r.m.s. deviation of 0.004?(2)?Å. The mean plane of these atoms forms a dihedral angle of 60.9?(2)° with the phenyl ring. There is an intra-molecular O-H?N hydrogen bond between the phenol and benzotriazole groups.

| S-EPMC3009180 | biostudies-literature

2-(2H-Benzotriazol-2-yl)-6-[(dicyclo-hexyl-amino)-meth-yl]-4-(2,4,4-trimethyl-pentan-2-yl)phenol.

Project description:In the title mol-ecule, C(33)H(48)N(4)O, the dihedral angle between the mean planes of the benzotriazole ring system [maximun deviation = 0.038?(2)?Å] and the phenol ring is 16.6?(2)°. There is an intra-molecular O-H?N hydrogen bond between the phenol and benzotriazole groups.

| S-EPMC3470316 | biostudies-literature

5-Diethyl-amino-2-[(E)-(4-methyl-3-nitro-phenyl)-imino-meth-yl]phenol: a redetermination.

Project description:The title compound, C(18)H(21)N(3)O(3), is a potential bidentate Schiff base ligand. The whole mol-ecule is disordered with a refined site-occupancy ratio of 0.567?(4):0.433?(4) and not just one ethyl group as reported previously [Sarojini et al. (2007 ?). Acta Cryst. E63, o4782-o4782]. Using the whole mol-ecule disorder, R values are much smaller than those published. An intra-molecular O-H?N hydrogen bond generates a six-membered ring, producing an S(6) ring motif. The dihedral angle between the mean plane of the two benzene rings (major component) is 9.0?(5)°. The crystal structure shows short C?C [3.189?(15)-3.298?(12)?Å] and C?O [2.983?(5)-3.149?(13)?Å] contacts. Inter-molecular C-H?O inter-actions link neighbouring mol-ecules into dimers with R(2) (2)(18) motifs. In the crystal structure, these dimers are linked together by inter-molecular C-H?O inter-actions into one-dimensional extended chains along the b axis. The crystal structure is further stabilized by inter-molecular ?-? stacking inter-actions [centroid-centroid distances = 3.458?(8)-3.691?(6)?Å].

| S-EPMC2968344 | biostudies-literature

5-Diethyl-amino-2-{(E)-[(3-iodo-phen-yl)imino]-meth-yl}phenol.

Project description:The title Schiff base, C(17)H(19)IN(2)O, is not planar, displaying a dihedral angle of 34.9?(2)° between the two aromatic rings. The mol-ecular conformation allows the formation of a strong intra-molecular O-H?N hydrogen bond with graph-set motif S(6) between the hy-droxy group and the imine N atom.

| S-EPMC3379512 | biostudies-literature

5-Diethyl-amino-2-[(E)-(2,4-dimeth-oxy-phen-yl)imino-meth-yl]phenol.

Project description:The title Schiff base, C(19)H(24)N(2)O(3), exists in the crystal structure in the phenol-imine tautomeric form with an intra-molecular O-H?N hydrogen bond. The planes of the aromatic rings form a dihedral angle of 36.8?(8)°. The crystal packing is characterized by C-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distance = 3.478?(4)Å].

| S-EPMC3379200 | biostudies-literature

5-Diethyl-amino-2-[(E)-(4-eth-oxy-phen-yl)imino-meth-yl]phenol.

Project description:The title compound, C(19)H(24)N(2)O(2), adopts the phenol-imine tautomeric form. An intra-molecular O-H⋯N hydrogen bond results in the formation of a six-membered ring. The aromatic rings are oriented at a dihedral angle of 17.33 (16)°. Inter-molecular C-H⋯π inter-actions occur in the crystal.

| S-EPMC3051950 | biostudies-literature

Methyl 9-diethyl-amino-2,2-bis-(4-meth-oxy-phen-yl)-2H-benzo[h]chromene-5-carboxyl-ate.

Project description:In the title compound, C(31)H(29)NO(5), the methyl carboxyl-ate and dimethyl-amino groups on the naphtho-pyran group are almost coplanar with the naphtho-pyran ring system [r.m.s. deviations = 0.08?(2) and 0.161?(2)?Å, respectively]. The dihedral angle between the methyl carboxyl-ate and dimethyl-amino groups is 4.9?(1)°. The pyran ring has an envelope conformation with the quaternary C atom out of plane by 0.4739?(13)?Å. The meth-oxy-phenyl substituent forms a dihedral angle of 16.6?(1)° with the plane of the benzene ring, while the other meth-oxy-phenyl group is almost coplanar, making a dihedral angle of 1.4?(1)°.

| S-EPMC3100025 | biostudies-literature

5-Diethyl-amino-2-{[2-(2,4-dinitro-phen-yl)hydrazin-1-yl-idene]meth-yl}phenol.

Project description:In the title compound, C(17)H(19)N(5)O(5), obtained from the condensation reaction of 4-diethyl-amino-2-hy-droxy-benzalde-hyde and 2,4-dinitro-phenyl-hydrazine, the two benzene rings are twisted by a dihedral angle of 1.75?(12)°. The nitro groups are slightly twisted with the respect to the benzene ring to which they are attached, making dihedral angles of 8.20?(15) and 5.78?(15)°. An intra-molecular O-H?N hydrogen bond occurs. In the crystal, mol-ecules are linked by pairs of inter-molecular N-H?O hydrogen bonds, forming dimers through R(2) (2)(12) rings. These dimers are further linked by C-H?O and C-H?? and weak slipped ?-? inter-actions [centroid-centroid distance = 3.743?(2)Å]. One of the ethyl groups is disordered over two positions, with occupancy factors in the ratio 0.72:0.28.

| S-EPMC3011673 | biostudies-literature

2-Bromo-4-chloro-6-{(E)-[4-(diethyl-amino)-phen-yl]imino-meth-yl}phenol.

Project description:In the title compound, C(17)H(18)BrClN(2)O, the dihedral angle between the aromatic rings is 3.0 (1)°. The methyl-ethanamine group assumes an extended conformation. An intra-molecular O-H⋯N hydrogen bond generates an S(6) ring motif. The crystal packing is stabilized by C-H⋯π and π-π [centroid-centroid distances = 3.691 (1) and 3.632 (1) Å] inter-actions.

| S-EPMC3008048 | biostudies-literature

Diethyl 2-[(N-benzyl-N-methyl-amino)(phen-yl)meth-yl]propane-dioate.

Project description:In the title compound, C(22)H(27)NO(4), the mean planes of the two benzene rings form a dihedral angle of 73.54?(13)°. One of the methyl groups is disordered over two sites, with site occupation factors of 0.47?(15) and 0.53?(15). The crystal packing is controlled by van der Waals forces and a possible C-H?O inter-action, forming a chain running parallel to the a axis.

| S-EPMC2984050 | 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