Browse
Submit Data
Databases
API
Help

Dataset Information

9 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(S,Z)-1-Chloro-3-[(3,4,5-trimeth-oxy-benzyl-idene)amino]-propan-2-ol.

ABSTRACT: In the title compound, C(13)H(18)ClNO(4), the two meth-oxy groups at the meta positions of the attached benzene ring are close to being coplanar with the ring [the meth-oxy C atoms deviate by 0.267?(7) and 0.059?(7)?Å], whereas the third meth-oxy group at the para position is not coplanar with the benzene ring [methoxy C atom deviates by 1.100?(6)?Å]. In the crystal, mol-ecules are linked into a chain along the a axis by O-H?N hydrogen bonds.

SUBMITTER: Ren Y

PROVIDER: S-EPMC3051781 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(S,Z)-1-Chloro-3-[(3,4,5-trimeth-oxy-benzyl-idene)amino]-propan-2-ol.

Ren Yun Y Qian Shan S Hai Li L Fan Wei W Wu Yong Y

Acta crystallographica. Section E, Structure reports online 20110108 Pt 2

In the title compound, C(13)H(18)ClNO(4), the two meth-oxy groups at the meta positions of the attached benzene ring are close to being coplanar with the ring [the meth-oxy C atoms deviate by 0.267 (7) and 0.059 (7) Å], whereas the third meth-oxy group at the para position is not coplanar with the benzene ring [methoxy C atom deviates by 1.100 (6) Å]. In the crystal, mol-ecules are linked into a chain along the a axis by O-H⋯N hydrogen bonds. ...[more]

PMID: 21522939

Similar Datasets

7-Chloro-4-[(E)-2-(3,4,5-trimeth-oxy-benzyl-idene)hydrazin-1-yl]quinoline.

Project description:In the title compound, C(19)H(18)ClN(3)O(3), the r.m.s. deviation through the 23 non-H and non-meth-oxy atoms is 0.088?Å, indicating a planar mol-ecule with the exception of the meth-oxy groups. One meth-oxy group, surrounded on either side by the other meth-oxy groups, is almost normal to the benzene ring to which it is connected [C-O-C(ar)-C(ar) torsion angle = 81.64?(15)°]. In the crystal, N-H?O, C-H?O and ?-? inter-actions [between quinoline residues; centroid-centroid distance = 3.4375?(8)?Å] link mol-ecules into a three-dimensional architecture.

| S-EPMC3344149 | biostudies-literature

(E)-4-Meth-oxy-N'-(3,4,5-trimeth-oxy-benzyl-idene)benzohydrazide.

Project description:In the asymmetric unit of the title compound, C(18)H(20)N(2)O(5), there are two crystallographic independent mol-ecules. Both mol-ecules are twisted; the dihedral angle between the two benzene rings is 7.2?(5)° in one mol-ecule, whereas it is 85.9?(4)° in the other. Of the three meth-oxy groups in the 3,4,5-trimeth-oxy-phenyl unit, two meth-oxy groups at meta positions are approximately coplanar with the benzene plane [C-O-C-C torsion angles of -2.3?(13)-4.8?(11)°], but the other meth-oxy, at the para position, is out of the plane [C-O-C-C of 72.8?(9)° in one mol-ecule and -77.5?(9)° in the other]. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds and weak C-H?O inter-actions into tapes along the b axis. C-H?? inter-actions are also present.

| S-EPMC3297292 | biostudies-literature

(E)-4-Hy-droxy-N'-(3,4,5-trimeth-oxy-benzyl-idene)benzohydrazide.

Project description:The title benzohydrazide derivative, C(17)H(18)N(2)O(5), exists in a trans conformation with respect to the C=N double bond. The dihedral angle between the benzene rings is 19.41?(5)°. The two meth-oxy groups at the meta positions of the trimeth-oxy-benzene group are almost coplanar with the ring [C-O-C-C = 1.62?(16) and 178.33?(10)°], whereas the third meth-oxy group, at the para position, is (+)-synclinal with the ring. In the crystal, mol-ecules are linked by N-H?O and bifurcated O-H?(N,O) hydrogen bonds, as well as weak C-H?O inter-actions, into sheets lying parallel to the ac plane. A C-H?? inter-action also occurs.

| S-EPMC3247387 | biostudies-literature

(E,E)-N-(2,3,4,5,6-Penta-fluoro-benzyl-idene)-N-(3,4,5-trimeth-oxy-benzyl-idene)benzene-1,4-diamine.

Project description:The title compound, C(23)H(17)F(5)N(2)O(3), forms a layered centrosymmetric crystal structure in which C-H?F inter-actions are responsible for the formation of planar ribbons along [110], meth-oxy-meth-oxy (C-H?O) inter-actions for the formation of layers parallel to [[Formula: see text]13], and OCH(3)?? and C-F?? inter-actions for the stacking of these layers.

| S-EPMC3239037 | biostudies-literature

Crystal structure of 1,3-bis-[(<i>E</i>)-4-meth-oxy-benzyl-idene-amino]-propan-2-ol.

Project description:The title Schiff base, C19H22N2O3, was synthesized via the condensation reaction of 1,3-di-amino-propan-2-ol with 4-meth-oxy-benzaldehyde using water as solvent. The mol-ecule exists in an E,E conformation with respect to the C=N imine bonds and the dihedral angle between the aromatic rings is 37.25?(15)°. In the crystal, O-H?N hydrogen bonds link the mol-ecules into infinite C(5) chains propagating along the a-axis direction. The packing of these chains is consolidated by C-H?O inter-actions and C-H?? short contacts, forming a three-dimensional network.

| S-EPMC5137596 | biostudies-literature

4-(2,3,4-Trimeth-oxy-6-methyl-benzyl-idene-amino)phenol.

Project description:The asymmetric unit of the title compound, C(17)H(19)NO(4), contains two independent mol-ecules in which the dihedral angles between the two benzene rings are 83.1?(2) and 88.5?(2)°. Each mol-ecule adopts a trans configuration with respect to the C=N bond. In the crystal structure, mol-ecules are linked by inter-molecular O-H?N hydrogen bonds, forming two independent one-dimensional chains running along the b-axis direction.

| S-EPMC2969002 | biostudies-literature

Crystal structure of 1,3-bis-[(<i>E</i>)-benzyl-idene-amino]-propan-2-ol.

Project description:In the title compound, C17H18N2O, the central carbon atom with the OH substituent and one of the (E)-benzyl-idene-amino substituents are disordered over two sets of sites with occupancies of 0.851 (4) and 0.149 (4). The relative positions of the two disorder components is equivalent to a rotation of approximately 60° about the C-N single bond. In the crystal, the mol-ecules are held together by O-H⋯N hydrogen bonds, forming simple C(5) chains along the b-axis direction. In addition, pairs of the chains are further aggregated by weak C-H⋯π inter-actions.

| S-EPMC5382637 | biostudies-literature

4-Chloro-N-(3,4,5-trimethoxy-benzyl-idene)aniline.

Project description:The title compound, C(16)H(16)ClNO(3), is a Schiff base displaying a trans configuration of the C=N double bond. In the crystal structure, inter-molecular C-H?N and bifurcated C-H?(O,O) hydrogen bonds are observed.

| S-EPMC2968176 | biostudies-literature

3,4,5-Trimeth-oxy-phenol.

Project description:The asymmetric unit of the title compound, C(9)H(12)O(4), consists of two crystallographically independent mol-ecules with similar conformations: essentially planar [r.m.s deviations for C(6)O(4) = 0.0057 and 0.0137?Å] except for the central meth-oxy-methyl group [C-C-O-C torsion angles = 83.3?(2) and 83.9?(2)°]. In the crystal, O-H?O hydrogen bonds link the mol-ecules, generating supra-molecular chains along the b axis.The three-dimensional crystal structure is stabilized by C-H?O and C-H?? inter-actions.

| S-EPMC3515255 | biostudies-literature

5-Chloro-2-(3,4,5-trimeth-oxy-phen-yl)-1,3-benzothia-zole.

Project description:In the title compound, C(16)H(14)ClNO(3)S, the dihedral angle between the almost-planar benzothia-zole ring system [maximum deviation = 0.012?(3)?Å] and the aromatic ring of the trimeth-oxy-phenyl group is 15.56?(6)°. In the crystal, the mol-ecules are arranged into layers parallel to the bc plane, held together only by weak van der Waals forces.

| S-EPMC3470404 | 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