Browse
Submit Data
Databases
API
Help

Dataset Information

23 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-Benzyl-5,7-dimeth-oxy-chroman-4-ol.

ABSTRACT: In the crystal structure of the title compound, C(18)H(20)O(4), O-H?O hydrogen bonds connect the mol-ecules in parallel layers along the b axis.

SUBMITTER: Shaikh MM

PROVIDER: S-EPMC3052041 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-Benzyl-5,7-dimeth-oxy-chroman-4-ol.

Shaikh Mahidansha M MM Maguire Glenn E M GE Kruger Hendrik G HG du Toit Karen K

Acta crystallographica. Section E, Structure reports online 20110223 Pt 3

In the crystal structure of the title compound, C(18)H(20)O(4), O-H⋯O hydrogen bonds connect the mol-ecules in parallel layers along the b axis. ...[more]

PMID: 21522447

Similar Datasets

6,8-Diiodo-5,7-dimeth-oxy-4-methyl-coumarin.

Project description:In the title compound, C(12)H(10)I(2)O(4), the meth-oxy groups are twisted considerably with respect to the plane of the aromatic ring [CH(3)-O-C-C torsion angles = -85.9 (3) and -92.8 (3)°]. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds and O⋯I contacts [3.194 (2) Å].

| S-EPMC2983982 | biostudies-literature

3-(3,4-Dimeth-oxy-benz-yl)chroman-4-one.

Project description:In the title compound, C(18)H(18)O(4), the six-membered chroman-4-one ring adopts an envelope conformation with the C atom bonded to the bridging CH(2) atom as the flap. The dihedral angle between the mean plane of the fused pyranone ring and the dimeth-oxy-substituted benzene ring is 89.72 (2)°. In the crystal, adjacent molecules are linked via C-H⋯π inter-actions.

| S-EPMC3569774 | biostudies-literature

5,7-Dimeth-oxy-2-phenyl-4H-chromen-4-one.

Project description:The asymmetric unit of the title compound, C(17)H(14)O(4), contains two independent mol-ecules which differ in the relative orientations of the phenyl rings with repect to the essentially planar [maximum deviations of 0.029?(2) and 0.050?(2)?Å in the two mol-ecules] chromene fused-ring system, forming dihedral angles of 10.3?(5) and 30.86?(5)° in the two mol-ecules. The crystal structure is stabilized by weak C-H?O and C--H?? inter-actions, and ?-? stacking inter-actions.

| S-EPMC2968465 | biostudies-literature

3-(3-Meth-oxy-benzyl-idene)chroman-4-one.

Project description:In the title compound, C(17)H(14)O(3), the dihedral angle between the meth-oxy-benzene unit and the benzene ring of the chromanone system is 64.12 (3)°. The crystal structure is stabilized by weak C-H⋯O inter-actions.

| S-EPMC3343972 | biostudies-literature

8-Iodo-5,7-dimeth-oxy-4-methyl-2H-chromen-2-one.

Project description:In the title compound, C(12)H(11)IO(4), the C and O atoms of both meth-oxy groups lie very close to the mean plane of the six C atoms of the benzene ring. The O and C atoms of the group lying closest to the I atom are 0.012 (3) and 0.022 (4) Å, respectively, out of the mean plane. For the other meth-oxy group, the corresponding distances are 0.020 (3) and 0.078 (4) Å. In the crystal, there are only very weak inter-molecular C-H⋯O hydrogen bonds and O⋯I contacts [3.080 (2) Å]. The mol-ecules are approximately parallel to (100), forming a layered structure.

| S-EPMC3099918 | biostudies-literature

N'-(3,4-Dimeth-oxy-benzyl-idene)benzo-hydrazide.

Project description:The crystal structure of the title Schiff base compound, C(16)H(16)N(2)O(3), is characterized by chains of mol-ecules linked by inter-molecular N-H?O hydrogen bonds running along the c axis. Further stabilization is provided by weak C-H?O contacts. The dihedral angle between the aromatic rings is 38.31?(7)°.

| S-EPMC3050232 | biostudies-literature

2-[(E)-3,4-Dimeth-oxy-benzyl-idene]hydrazinecarboxamide.

Project description:In the title compound, C(10)H(13)N(3)O(3), the 3,4-dimeth-oxy-benzyl-idene and hydrazinecarboxamide groups are oriented at a dihedral angle of 53.82?(6)° and an intra-molecular N-H?N hydrogen bond generates an S(5) ring motif. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds into sheets propagating in (-201), which feature R(1) (2)(5), R(2) (2)(8) and R(2) (4)(14) loops.

| S-EPMC3379314 | biostudies-literature

(E)-2-(3,4-Dimeth-oxy-benzyl-idene)-5,6-dimeth-oxy-2,3-dihydro-1H-inden-1-one.

Project description:In the title compound, C(20)H(20)O(5), the 2,3-dihydro-1H-indene ring system is essentially planar [maximum deviation = 0.010 (1) Å] and is inclined at an angle of 4.09 (4)° with respect to the phenyl ring. The C=C bond has an E configuration. In the crystal, the mol-ecules are linked into chains propagating in [102] via inter-molecular C-H⋯O hydrogen bonds. The crystal structure is further consolidated by C-H⋯π inter-actions.

| S-EPMC3009320 | biostudies-literature

2-Bromo-5,7-dimeth-oxy-4-phenyl-quinoline.

Project description:The title compound, C(17)H(14)BrNO(2), was synthesized by the treatment of 5,7-dimeth-oxy-4-phenyl-quinolin-2-one with phosphoryl bromide in a Vilsmeier-type reaction. There are two independent mol-ecules (A and B) in the asymmetric unit which differ by 11.2° in the orientation of the 4-phenyl ring with respect to the planar quinoline ring system [dihedral angles = 55.15?(8) and 66.34?(8)° in mol-ecules A and B, respectively]. In the crystal structure, the independent mol-ecules are linked via C-H?N and C-H?O hydrogen bonds, forming centrosymmetric tetra-meric units which are cross-linked through C-H?? and C-Br?? inter-actions with Br?centroid distances of 3.4289?(8) and 3.5967?(8)?Å.

| S-EPMC2968525 | biostudies-other

(E)-N-(2,4-Dimeth-oxy-benzyl-idene)-4-ethoxyaniline.

Project description:In the title compound, C(17)H(19)NO(3), the mol-ecule has an E configuration with respect to the C=N bond and the dihedral angle between the aromatic rings is 56.07 (5)°. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds occur. The dimers are linked by weak C-H⋯π inter-actions, forming a three-dimensional network.

| S-EPMC3008983 | 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