Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(2,4-Dinitro-phen-yl)-1,3-dimeth-oxy-isoindolin-2-amine.

ABSTRACT: In the title compound, C(16)H(16)N(4)O(6), the planes of the isoindole and dinitro-benzene groups make a dihedral angle between of 84.15?(8)°. The N atom of the isoindole group is displaced by 0.2937?(3)?Å from the plane through the remaining atoms. An intra-molecular N-H?O inter-action occurs. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds occur.

SUBMITTER: Du NN

PROVIDER: S-EPMC3213429 | biostudies-other | 2011 Aug

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

N-(2,4-Dinitro-phen-yl)-1,3-dimeth-oxy-isoindolin-2-amine.

Du Na-Na NN Xu Hua-Jie HJ Sheng Liang-Quan LQ

Acta crystallographica. Section E, Structure reports online 20110709 Pt 8

In the title compound, C(16)H(16)N(4)O(6), the planes of the isoindole and dinitro-benzene groups make a dihedral angle between of 84.15 (8)°. The N atom of the isoindole group is displaced by 0.2937 (3) Å from the plane through the remaining atoms. An intra-molecular N-H⋯O inter-action occurs. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds occur. ...[more]

PMID: 22091008

Similar Datasets

1-(2,3-Dimeth-oxy-benzyl-idene)-2-(2,4-dinitro-phen-yl)hydrazine.

Project description:In the title compound, C(15)H(14)N(4)O(6), the dihedral angle between the aromatic rings is 3.7?(4)°. The nitro groups make dihedral angles of 6.0?(4) and 5.2?(4)° with the parent ring and are oriented at 6.0?(6)° with respect to each other. The meth-oxy groups are inclined at 54.0?(2) and 2.5?(3)° with respect to the benzene ring to which they are attached. In the crystal, mol-ecules are linked by weak C-H?O inter-actions. The mol-ecular conformation is consolidated by an intra-molecular N-H?O hydrogen bond.

| S-EPMC3089222 | biostudies-literature

N-(2,4-Dinitro-phen-yl)dehydro-abietyl-amine.

Project description:In the crystal structure of the title compound, C(26)H(33)N(3)O(4), there are two crystallographically independent mol-ecules. The two cyclohexane rings are trans-fused; the ring neighboring the phenyl group is in a half-chair conformation and the other is in a chair conformation. The two nitro groups and the benzene ring of the dinitro-phenyl group are almost coplanar. Intra-molecular N-H⋯O hydrogen bonds and weak inter-molecular C-H⋯O hydrogen bonds are observed.

| S-EPMC2961262 | biostudies-literature

Bis(2,4-dimeth-oxy-phen-yl)(phen-yl)phosphine selenide.

Project description:In the title mol-ecule, C(22)H(23)O(4)PSe, the P atom has a distorted tetra-hedral environment formed by the selenide atom [P=Se = 2.1219?(5)?Å] and three aryl rings. The orientations of the meth-oxy groups in the two 2,4-dimeth-oxy-phenyl ligands are distinct, as seen from the torsion angles: C-C-O-C = 14.7?(3) and 175.97?(17)° in one ligand, and -9.1?(2) and 5.1?(3)° in the other. In the crystal, weak inter-molecular C-H?Se inter-actions link the mol-ecules into zigzag chains propagated in [010].

| S-EPMC3050267 | biostudies-literature

2-[4-(2,6-Dimeth-oxy-phen-yl)but-yl]-1,3-dimeth-oxy-benzene.

Project description:The title compound, C(20)H(26)O(4), crystallizes such that the alkyl chain adopts an all-anti conformation. The crystal packing displays edge-to-face arene-arene inter-actions with a dihedral angle of 87°. The complete molecule is generated by inversion symmetry.

| S-EPMC3007267 | biostudies-literature

(E)-3-(2,4-Dimeth-oxy-phen-yl)-1-(3,4-dimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(19)H(20)O(5), is approximately planar; the dihedral angle between the benzene rings is 3.82?(8)°, and the central propenone C(=O)-C=C plane makes dihedral angles of 1.95?(10) and 3.17?(11)° with the two benzene rings. In the crystal structure, intra- and inter-molecular C-H?O hydrogen bonds are observed.

| S-EPMC3009186 | biostudies-literature

1,3-Diphenyl-propan-2-one (2,4-dinitro-phen-yl)hydrazone.

Project description:In the title compound, C(21)H(18)N(4)O(4), there is an intra-molecular N-H?O hydrogen bond between the amino H atom and an O atom of the 2-nitro group of the adjacent benzene ring. The central benzene ring forms dihedral angles of 79.98?(7) and 82.88?(7)° with the two phenyl rings. In the crystal structure, mol-ecules are linked into a three-dimensional network by weak C-H?N, C-H?O and C-H?? inter-actions.

| S-EPMC2983658 | biostudies-literature

(Dimeth-oxy-phosphor-yl)(furan-2-yl)methyl 2-(2,4-dichloro-phen-oxy)acetate.

Project description:In the title compound, C(15)H(15)Cl(2)O(7)P, the benzene and furan rings form a dihedral angle of 73.54?(1)°. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into layers parallel to (100).

| S-EPMC3009241 | biostudies-literature

2-Methyl-pyridinium 5-(2,4-dinitro-phen-yl)-1,3-dimethyl-barbiturate.

Project description:In the title mol-ecular salt [systematic name: 2-methyl-pyridinium 5-(2,4-dinitro-phen-yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetra-hydro-pyrimidin-4-olate], C(6)H(8)N(+)·C(12)H(9)N(4)O(7) (-), the cation and anion are linked a through strong N-H?O hydrogen bond. In the crystal, C-H?O inter-actions link the ions, generating a chain along [010].

| S-EPMC3344005 | biostudies-literature

Bis[4-hy-droxy-3,5-dimeth-oxy-benzalde-hyde (2,4-dinitro-phen-yl)hydrazone] N,N-dimethyl-formamide disolvate monohydrate.

Project description:In the title compound, 2C(15)H(14)N(4)O(7)·2C(3)H(7)NO·H(2)O, the hydrazone mol-ecules are roughly planar, with the two benzene rings twisted slightly relative to each other by dihedral angle of 6.04 (11) and 7.75 (11)° in the two mol-ecules. The water mol-ecule is linked to the Schiff base mol-ecule by an O-H⋯O hydrogen bond. Intra-molecular N-H⋯O hydrogen bonds occur. In the crystal, mol-ecules are linked by inter-molecular N-H⋯O and O-H⋯O hydrogen bonds.

| S-EPMC2983379 | biostudies-literature

(E)-3-(2,4-Dimeth-oxy-phen-yl)-1-(3,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title chalcone derivative, C(20)H(22)O(6), the dihedral angle between the mean planes of the benzene rings is 15.77?(6)°. The H atoms of the central C=C double bond are in a trans configuration. There are a number of C-H?O interactions and a C-H?? interaction present in the crystal structure.

| S-EPMC3254497 | 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