Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Diethyl 2-{4-diethyl-amino-2-[(dimethyl-carbamothio-yl)-oxy]benzyl-idene}malonate.

ABSTRACT: In the title compound, C(21)H(30)N(2)O(5)S, the plane of the dimeth-yl-thio-carbamic group makes a dihedral angle of 78.41?(7)° with the central benzene ring. One of the carbonyl groups in the ?,?-unsaturated malonate side chain makes a dihedral angle of 8.73?(10)° with the central benzene ring, while the other carbonyl group makes a dihedral angle of 81.52?(8)°.

SUBMITTER: Sun D

PROVIDER: S-EPMC3151902 | biostudies-other | 2011 Jul

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Diethyl 2-{4-diethyl-amino-2-[(dimethyl-carbamothio-yl)-oxy]benzyl-idene}malonate.

Sun Dan D Fan Xiao-Xing XX Yang Shi-Yao SY Zheng Hong H

Acta crystallographica. Section E, Structure reports online 20110630 Pt 7

In the title compound, C(21)H(30)N(2)O(5)S, the plane of the dimeth-yl-thio-carbamic group makes a dihedral angle of 78.41 (7)° with the central benzene ring. One of the carbonyl groups in the α,β-unsaturated malonate side chain makes a dihedral angle of 8.73 (10)° with the central benzene ring, while the other carbonyl group makes a dihedral angle of 81.52 (8)°. ...[more]

PMID: 21837219

Similar Datasets

Diethyl 2-{[(4-meth-oxy-3-pyrid-yl)amino]-methyl-idene}malonate.

Project description:In the title mol-ecule, C(14)H(8)N(2)O(5), the amino group is involved in the formation an intra-molecular N-H?O hydrogen bond. In the crystal, weak inter-molecular C-H?O and C-H?N hydrogen bonds link the mol-ecules into ribbons along the b axis.

| S-EPMC3212332 | biostudies-literature

Diethyl 2-(2-nitro-benzyl-idene)malonate.

Project description:In the title compound, C(14)H(15)NO(6), the ethoxy-carbonyl groups adopt extended conformations. In the crystal, mol-ecules are linked into centrosymmetric dimers via pairs of C-H⋯O hydrogen bonds with a R(2) (2)(20) motif.

| S-EPMC2969968 | biostudies-literature

Dimethyl 2-(4-methyl-benzyl-idene)malonate.

Project description:In the mol-ecule of the title compound, C13H14O4, the benzene ring forms dihedral angles of 18.60?(7) and 81.36?(8)° with the two arms of the malonate moiety. The crystal structure features C-H?O inter-actions, which form chains running parallel to the b axis.

| S-EPMC3685070 | biostudies-literature

(Z)-3-Diethyl-amino-6-({2-[(E)-4-(diethyl-amino)-2-hy-droxy-benzyl-idene-amino]-4,5-dimethyl-phen-yl}amino-methyl-idene)cyclo-hexa-2,4-dienone-5,5'-bis-(diethyl-amino)-2,2'-[4,5-dimethyl-o-phenyl-enebis(nitrilo-methyl-idyne)]diphenol.

Project description:The asymmetric unit of the title Schiff base compound, C(30)H(38)N(4)O(2), comprises two crystallographically independent mol-ecules, A and B. The structure is non-merohedrally twinned with a refined BASF ratio of 0.219?(6):0.701?(6). Mol-ecule B shows both phenol-imine and keto-amine tautomeric forms in a single structure. The dihedral angles between the central ring and the two outer rings are 5.9?(3) and 48.4?(3)° in mol-ecule A, and 48.3?(3) and 6.9?(3)° in mol-ecule B. Strong intra-molecular O-H?N and N-H?O hydrogen bonds generate S(6) ring motifs. The crystal structure is further stabilized by inter-molecular C-H?O, C-H?? and ?-? inter-actions [centroid-centroid distances = 3.870?(4)-3.871?(4)?Å].

| S-EPMC3011455 | biostudies-literature

4-Dimethyl-amino-N'-(2-meth-oxy-benzyl-idene)benzohydrazide.

Project description:In the title mol-ecule, C(17)H(19)N(3)O(2), the dihedral angle between the two benzene rings is 14.05?(15)°. In the crystal, mol-ecules are linked through inter-molecular N-H?O hydrogen bonds, forming chains along b.

| S-EPMC3212290 | biostudies-literature

N'-[4-(Dimethyl-amino)benzyl-idene]-3-hydr-oxy-2-naphthohydrazide.

Project description:The title compound, C(20)H(19)N(3)O(2), was obtained by the condensation of 4-(dimethyl-amino)benzaldehyde with 3-hydr-oxy-2-naphthohydrazide. The mol-ecule is approximately planar, with an intra-molecular N-H⋯O hydrogen bond involving the imino H atom and the hydr-oxy O atom. The dihedral angle between the benzene ring and the naphthyl mean plane is 2.72 (13)°. In the crystal structure, symmetry-related mol-ecules are linked by inter-molecular O-H⋯O hydrogen bonds, forming chains propagating in the c-axis direction.

| S-EPMC2969016 | biostudies-literature

Dimethyl 2-[(acridin-9-yl)methyl-idene]malonate.

Project description:In the title compound, C(19)H(15)NO(4), the acridine system is essentially planar (r.m.s. deviation = 0.015?Å). The crystal packing exhibits ?-? inter-actions between pairs of centrosymmetric mol-ecules, one of them between the central heterocyclic rings and others between the outer benzene rings of the acridine systems, with centroid-centroid distances of 3.692?(1) and 3.754?(1)?Å, respectively. These pairs are further linked by additional ?-? inter-actions along the a-axis direction through one of the two outer benzene ring of neighboring mol-ecules, with a centroid-centroid distance of 3.642?(2)?Å.

| S-EPMC3569759 | biostudies-literature

N'-(4-Diethyl-amino-2-hy-droxy-benzyl-idene)-4-(dimethyl-amino)-benzo-hydrazide methanol monosolvate.

Project description:The title compound, C(20)H(26)N(4)O(2)·CH(3)OH, was prepared by the reaction of 4-diethyl-amino-2-hy-droxy-benzaldehyde with 4-(dimethyl-amino)-benzohydrazide. The dihedral angle between the two benzene rings is 13.6 (3)° and an intra-molecular O-H⋯N hydrogen bond generates an S(6) ring. In the crystal, the hydrazone and methanol mol-ecules are linked through inter-molecular O-H⋯O and N-H⋯O hydrogen bonds, forming chains along a.

| S-EPMC3151952 | biostudies-literature

2-[4-(Diethyl-amino)-benzyl-idene]malono-nitrile.

Project description:In the title compound, C(14)H(15)N(3), the diethyl-amino N atom, benzene ring, olefinic bond and cyano groups form an extended conjugated system, making the mol-ecule nearly planar: the dihedral angle between the benzene ring and the best plane throught the cyano groups is 4.93?(10)°, while the dihedral angle between the benzene ring and the plane through the diethyl-amino N atom and the two attached ethyl C atoms is 9.51?(14)°. In the crystal, inter-molecular C-H?? inter-actions stabilize the packing.

| S-EPMC3120336 | biostudies-literature

Diethyl 2-{[3-(2-meth-oxy-benz-yl)thio-phen-2-yl]methyl-idene}malonate.

Project description:In the title compound, C(20)H(22)O(5)S, the dihedral angle between the mean planes through the thio-phene and benzene rings is 75.2?(1)°. The meth-oxy group is essentially coplanar with the benzene ring, the largest deviation from the mean plane being 0.019?(2)?Å for the O atom. The malonate group assumes an extended conformation.

| S-EPMC3151827 | biostudies-other

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