Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Diethyl 2-[(4-bromo-anilino)methyl-idene]malonate.

ABSTRACT: In the title compound, C(14)H(16)BrNO(4), inter-molecular C-H?O hydrogen bonds link the mol-ecules, forming a stable structure. An intra-molecular N-H?O hydrogen bond results in the formation of a six-membered ring and helps to establish the mol-ecular conformation which is almost planar, with an r.m.s deviation of 0.0842?Å.

SUBMITTER: Feng ZQ

PROVIDER: S-EPMC3011394 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Diethyl 2-[(4-bromo-anilino)methyl-idene]malonate.

Feng Zhi-Qiang ZQ Yang Xiao-Li XL Ye Yuan-Feng YF Dong Tao T Wang Huai-Qing HQ

Acta crystallographica. Section E, Structure reports online 20101110 Pt 12

In the title compound, C(14)H(16)BrNO(4), inter-molecular C-H⋯O hydrogen bonds link the mol-ecules, forming a stable structure. An intra-molecular N-H⋯O hydrogen bond results in the formation of a six-membered ring and helps to establish the mol-ecular conformation which is almost planar, with an r.m.s deviation of 0.0842 Å. ...[more]

PMID: 21589423

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

Crystal structure of diethyl 2-[(2-sulfan-yl-quinolin-3-yl)methyl-idene]malonate.

Project description:In the title compound, C17H17N O4S, the quinoline ring system is nearly planar, with a maximum deviation of 0.0496 (16) Å. A weak intra-molecular C-H⋯O inter-action is observed. In the crystal, C-H⋯O, S-H⋯N and π-π stacking inter-actions between the fused benzene ring of quinoline and the pyridine moieties [shortest centroid-centroid distance = 3.6754 (11) Å] are observed. Inversion-related weak C-H⋯O inter-molecular inter-actions diagonally along [010], with R 2 (2)(10) ring motifs, and S-H⋯N inter-molecular inter-actions diagonally along [100], with R 2 (2)(8) ring motifs, are present, forming a three-dimensional network structure. No classical hydrogen bonds are observed.

| S-EPMC4571415 | biostudies-literature

3-Diethyl-amino-6-[(Z)-(4-hy-droxy-anilino)methyl-idene]cyclo-hexa-2,4-dienone.

Project description:In the mol-ecule of the title compound, C(17)H(20)N(2)O(2), the aromatic rings are oriented at a dihedral angle of 6.23 (22)°. Intra-molecular N-H⋯O hydrogen bonding involving the amine H atom and the carbonyl O atom affects the conformation of the mol-ecule. One of the ethyl arms is disordered over two conformations, with occupancies of 0.59 (2) and 0.41 (2). The crystal packing is stabilized by inter-molecular C-H⋯O and O-H⋯O hydrogen bonds, and weak C-H⋯π inter-actions.

| S-EPMC3011427 | biostudies-literature

(Z)-N-[5-Bromo-2-(4-methyl-anilino)-3H-indol-3-yl-idene]-4-methyl-aniline oxide.

Project description:The crystal structure of the title compound, C(22)H(18)BrN(3)O, is stabilized by π-π contacts [centroid-centroid distance = 3.476 (2) Å] between five-membered rings as well as inter-molecular C-H⋯O and C-H⋯N hydrogen bonds. An intra-molecular N-H⋯O hydrogen bond occurs. The benzene rings make a dihedral angle of 59.89 (8)°. The dihedral angles between the fused ring systemand the two benzene rings are 3.46 (7) and 61.97 (7)°.

| S-EPMC3051780 | 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

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

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

4-Bromo-N-[4-(diethyl-amino)-benzyl-idene]aniline.

Project description:The asymmetric unit of the title compound, C(17)H(19)BrN(2), contains two independent mol-ecules. The dihedral angles between the two benzene rings in are 60.4 (2) and 61.0 (2)°.

| S-EPMC3008128 | biostudies-literature

Unnatural α-amino ethyl esters from diethyl malonate or ethyl β-bromo-α-hydroxyiminocarboxylate.

Project description:We have explored here the scope of the age-old diethyl malonate-based accesses to α-amino esters involving Knoevenagel condensations of diethyl malonate on aldehydes, reductions of the resulting alkylidenemalonates, the preparation of the corresponding α-hydroxyimino esters and their final reduction. This synthetic pathway turned out to be general although some unexpected limitations were encountered. The synthetic modifications of some of the intermediates - using Suzuki-Miyaura coupling or cycloadditions - before undertaking the oximation step - provided accesses to further α-amino esters. Moreover, other pathways to α-hydroxyimino esters were explored including an attempt to improve the cycloadditions between ethyl β-bromo-α-hydroxyiminocarboxylate and various alkylfuranes.

| S-EPMC6244313 | 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