Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Thenmozhi S

PROVIDER: S-EPMC2969968 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

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

Project description: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)°.

| S-EPMC3151902 | biostudies-other

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

Project description: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.

| S-EPMC3011394 | 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

N'-[(E)-4-(Diethyl-amino)benzyl-idene]-4-nitro-benzohydrazide monohydrate.

Project description:In the title compound, C(18)H(20)N(4)O(3)·H(2)O, the two aromatic rings are linked through a methyl-idenehydrazide fragment, which is fully extended with C-C-N-N, C-N-N=C and N-N=C-C torsion angles of 179.4?(2), 174.7?(2) and 178.3?(2)°, respectively. The dihedral angle between the two aromatic rings is 7.01?(8)°. In the crystal structure, the water of hydration is involved in extensive hydrogen bonding. Inter-molecular O-H?O, N-H?O and O-H?N hydrogen bonds link the components of the structure into a two-dimensional network and additional stabilization is provided by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2983899 | biostudies-other

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

2-(4-Nitro-benzyl-idene)malononitrile.

Project description:In the title compound, C(10)H(5)N(3)O(2), the benzyl-idene-malono-nitrile unit is nearly planar, with a maximum deviation of 0.129 (2) Å for a terminal N atom; the nitro group is approximately coplanar with the benzene ring [dihedral angle = 8.8 (3)°]. An intra-molecular C-H⋯N hydrogen bond stabilizes the mol-ecular conformation.

| S-EPMC3343936 | biostudies-literature

N-(3-Nitro-benzyl-idene)aniline.

Project description:In the title compound, C(13)H(10)N(2)O(2), a Schiff base derivative, the dihedral angle between the two aromatic rings is 31.58 (3)°. The C=N double bond is essentially coplanar with the nitro-phenyl ring. The torsion angle of the imine double bond is 175.97 (13)°, indicating that the C=N double bond is in a trans configuration. The crystal structure is stabilized by C-H⋯O contacts and π-π inter-actions (centroid-centroid distances of 3.807 and 3.808Å).

| S-EPMC2960009 | biostudies-literature

(E)-4-Nitro-N'-(3-nitro-benzyl-idene)benzohydrazide.

Project description:The title compound, C(14)H(10)N(4)O(5), has an E conformation with respect to the C=N bond. The dihedral angle between the benzene rings is 2.41 (14)°. In the crystal, mol-ecules are linked through N-H⋯O hydrogen bonds to form chains along the c axis. C-H⋯O inter-actions are also present, linking the chains to form a three-dimensional network.

| S-EPMC3295447 | biostudies-literature

(E)-3-Nitro-N'-(3-nitro-benzyl-idene)-benzohydrazide.

Project description:In the title compound, C(14)H(10)N(4)O(5), the mol-ecule exists in a trans conformation with respect to the methyl-idene unit. The dihedral angle between the benzene rings is 9.8 (2)°. In the crystal, mol-ecules are linked through N-H⋯O hydrogen bonds to form chains along the c axis.

| S-EPMC3295476 | biostudies-literature

Benzyl 3-[(E)-2-nitro-benzyl-idene]dithio-carbazate.

Project description:The title compound, C(15)H(13)N(3)O(2)S(2), was obtained from a condensation reaction of benzyl dithio-carbazate and 2-nitro-benzaldehyde. In the mol-ecule, the nearly planar dithio-carbazate fragment [r.m.s deviation = 0.0264?Å] is oriented at dihedral angles of 7.25?(17) and 74.09?(9)°with respect to the two benzene rings. The nitro group is twisted by a dihedral angle of 22.4?(7)° to the attached benzene ring. The nitro-benzene ring and dithio-carbazate fragment are located on the opposite sides of the C=N bond, showing an E configuration. In the crystal, mol-ecules are linked via inter-molecular N-H?S hydrogen bonds, forming centrosymmetric supra-molecular dimers. Weak C-H?? inter-action is also observed in the crystal structure.

| S-EPMC3213549 | 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