Browse
Submit Data
Databases
API
Help

Dataset Information

30 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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?? inter-actions.

SUBMITTER: Ali MA

PROVIDER: S-EPMC3009320 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Ali Mohamed Ashraf MA Ismail Rusli R Tan Soo Choon SC Quah Ching Kheng CK Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20101020 Pt 11

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. ...[more]

PMID: 21589057

Similar Datasets

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

Project description:In the title compound, C(18)H(15)ClO(3), the dihydro-indenone group makes a dihedral angle of 8.56 (6)° with the bezene ring. In the crystal, the mol-ecules are inter-connected into a three-dimensional network via inter-molecular C-H⋯O hydrogen bonds. Weak C-H⋯π and π⋯π [centroid-centroid distances 3.6598 (9)-3.6913 (9) Å] inter-actions are also observed.

| S-EPMC3008978 | biostudies-literature

(E)-5,6-Dimeth-oxy-2-(pyridin-4-yl-methyl-idene)-2,3-dihydro-1H-inden-1-one.

Project description:The mol-ecule of the title compound, C(17)H(15)NO(3), is slightly twisted, with a dihedral angle of 12.12?(3)° between the dihydro-indenone group and the pyridine ring. In the crystal, mol-ecules are connected into layers parallel to the ab plane via inter-molecular C-H?O hydrogen bonds. Weak ?-? [centroid-centroid distance = 3.5680?(6)?Å] inter-actions are also observed.

| S-EPMC3009365 | biostudies-literature

(Z)-3-(3,4-Dimeth-oxy-benzyl-idene)-2,3-dihydro-1,5-benzothia-zepin-4(5H)-one.

Project description:In the title compound, C18H17NO3S, the seven-membered thia-zepine ring adopts a slightly distorted sofa conformation. The dihedral angle between the mean plane of the benzothia-zepine ring system and the benzene ring is 5.9 (1)°. The mol-ecular conformation is stabilized by an intra-molecular C-H⋯S hydrogen bond, which generates an S(7) ring motif. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds link inversion-related mol-ecules into dimers, incorporating R 1 (2)(6) and R 2 (2)(8) ring motifs; the acceptor O atom is bifurcated. These dimers are further linked by C-H⋯O hydrogen bonds, forming supra-molecular tapes running along the a axis. These are connected into the three-dimensional architecture by C-H⋯π inter-actions.

| S-EPMC3629613 | biostudies-literature

(E)-2-[4-(Trifluoro-meth-yl)benzyl-idene]-2,3-dihydro-1H-inden-1-one.

Project description:In the title mol-ecule, C(17)H(11)F(3)O, the indan ring system and the trifluoro-methyl-substituted benzene ring are approximately individually planar and form a dihedral angle of 1.81?(5)° with each other. In the crystal, mol-ecules are linked by pairs of weak bifurcated (C-H)(2)?O hydrogen bonds to form centrosymmetric dimers, generating R(2) (1)(6) and R(2) (2)(10) ring motifs. These dimers are connected by further weak C-H?O hydrogen bonds into one-dimensional chains along the b axis. Weak C-H?? inter-actions are also present.

| S-EPMC3275283 | biostudies-literature

(E)-2-[4-(Piperidin-1-yl)benzyl-idene]-2,3-dihydro-1H-inden-1-one.

Project description:In the title compound, C(21)H(21)NO, the indene ring system is essentially planar with a maximum deviation of 0.066?(1)?Å and makes dihedral angles of 7.93?(6) and 2.43?(6)°, respectively, with the benzene plane and the mean plane of the piperidine ring. These latter two planes make a dihedral angle of 7.61?(7)°. In the crystal, mol-ecules are linked by C-H?O inter-actions, forming infinite chains along the b axis.

| S-EPMC3009073 | 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

N-[(E)-3,4-Dimeth-oxy-benzyl-idene]-2,3-dimethyl-aniline.

Project description:In the title compound, C(17)H(19)NO(2), the aromatic rings are oriented at a dihedral angle of 59.27?(12)°. In the crystal, inversion dimers linked by pairs of weak C-H?O inter-actions generate R(2) (2)(12) loops.

| S-EPMC3200881 | biostudies-other

3,4-Dimeth-oxy-N-(4-nitro-benzyl-idene)-aniline.

Project description:In the title mol-ecule, C(15)H(14)N(2)O(4), the dihedral angle between the two benzene rings is 29.52 (8)°. The nitro and two meth-oxy substituents are almost coplanar with their respective benzene rings. The crystal structure is stabilized by inter-molecular C-H⋯O inter-actions.

| S-EPMC2959688 | biostudies-literature

3,4-Dimeth-oxy-N-(3-nitro-benzyl-idene)aniline.

Project description:The title compound, C(15)H(14)N(2)O(4), has two crystallographically independent mol-ecules in the asymmetric unit. In both mol-ecules, the nitro and the two meth-oxy substituents are coplanar with the benzene rings to which they are attached. The benzene rings are nearly coplanar, with dihedral angles between the two benzene rings of 10.39 (8) and 5.95 (8)° in the two mol-ecules. The two independent mol-ecules in the asymmetric unit are rotated with respect to each other such that the dihedral angles between equivalent benzene rings are 49.11 (8) and 63.93 (8)°. In the crystal structure, inter-molecular C-H⋯O hydrogen-bond contacts and a weak C-H⋯π inter-action are observed.

| S-EPMC2959659 | 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