Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(3-amino-phen-yl) sulfone acetonitrile solvate.

ABSTRACT: In the sulfone mol-ecule of the title compound, C(12)H(12)N(2)O(2)S·C(2)H(3)N, the two benzene rings are oriented at a dihedral angle of 80.69?(3)°. Weak intra-molecular C-H?O hydrogen bonds result in the formation of two five-membered rings, which both have envelope conformations. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules.

SUBMITTER: Yao W

PROVIDER: S-EPMC2961368 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis(3-amino-phen-yl) sulfone acetonitrile solvate.

Yao Wei W Li Fang-Shi FS Yu Da-Sheng DS Lu Chui C Zhu Jin-Na JN

Acta crystallographica. Section E, Structure reports online 20080521 Pt 6

In the sulfone mol-ecule of the title compound, C(12)H(12)N(2)O(2)S·C(2)H(3)N, the two benzene rings are oriented at a dihedral angle of 80.69 (3)°. Weak intra-molecular C-H⋯O hydrogen bonds result in the formation of two five-membered rings, which both have envelope conformations. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules. ...[more]

PMID: 21202649

Similar Datasets

Bis[4-(2-hydroxy-ethyl-amino)phen-yl] sulfone.

Project description:The title compound, C(16)H(20)N(2)O(4)S, exhibits a V-shape structure with a dihedral angle of 77.5?(11)° formed by the two benzenel rings. The mol-ecular packing is stabilized by intra-molecular and inter-molecular hydrogen bonds as well as ?-? [3.738?(3)?Å] and C-H?? inter-actions.

| S-EPMC2915238 | biostudies-literature

Bis(3-nitro-phen-yl) sulfone.

Project description:The asymmetric unit of the title compound, C(12)H(8)N(2)O(6)S, an important diphenyl sulfone derivative, contains one half-mol-ecule; a mirror plane passes through the SO(2) group. The dihedral angle between the two symmetry-related benzene rings is 40.10 (13)°. An intra-molecular C-H⋯O hydrogen bond results in the formation of a five-membered ring, which adopts an envelope conformation.

| S-EPMC2962012 | biostudies-literature

N,N'-Bis(2-amino-phen-yl)-3,4-diphenyl-thio-phene-2,5-dicarboxamide acetonitrile solvate.

Project description:In the title solvate, C(30)H(24)N(4)O(2)S·CH(3)CN, the substituted thiophene possesses approximate C(s)(m) intrinsic symmetry, with the mirror plane passing through the S atom and the mid-point of the (Ph)C-C(Ph) bond. Despite the main backbone of the mol-ecule being a long chain of conjugated bonds, it adopts a non-planar conformation due to the presence of various intra- and inter-molecular hydrogen bonds. The hydrogen bonds result in twist configurations for both the amido and amino-phenyl fragments relative to the central thio-phene ring. There are two intra-molecular N(amine)-H?O hydrogen bonds within the thio-phene-2,5-dicarboxamide mol-ecule that form seven-membered rings. In the crystal, the thio-phene-2,5-dicarboxamide mol-ecules form inversion dimers by four amide-amine N-H?N hydrogen bonds. The dimers are further linked into layers propagating in (100) both directly (via N(amine)-H?O hydrogen bonds) and through the acetonitrile solvate mol-ecules (via amine-cyano N-H?N and C(Me)-H?O inter-actions).

| S-EPMC2983892 | biostudies-other

{2-[(Dimethyl-amino)-meth-yl]phen-yl}bis-(4-methyl-phen-yl)bis-muthane.

Project description:The title compound, [Bi(C(7)H(7))(2)(C(9)H(12)N)], was obtained by treating chlorodi(p-tol-yl)bis-muthane with o-lithio-N,N-dimethyl-benzyl-amine. An intra-molecular Bi?N nonbonding inter-action is observed in the distorted trigonal triaryl-bis-muth coordination of the title compound.

| S-EPMC3050329 | biostudies-literature

Tris(3-amino-phen-yl)phosphine oxide ethanol solvate.

Project description:The title compound crystallized as an ethanol solvate, C(18)H(18)N(3)OP·C(2)H(6)O. It is the reduction product of tris-(3-nitro-phen-yl)phosphine oxide. In the crystal, there are inter-molecular N-H⋯O hydrogen bonds between neighbouring tris-(3-amino-phen-yl)phosphine oxide mol-ecules and O-H⋯O hydrogen bonds involving the ethanol solvent mol-ecule.

| S-EPMC2969104 | biostudies-literature

1,3-Bis(2-ethoxy-phen-yl)triazene methanol 0.33-solvate.

Project description:There are three independent mol-ecules of 1,3-bis-(2-ethoxy-phen-yl)triazene and a mol-ecule of methanol in the asymmetric unit of the title compound, C(16)H(19)N(3)O(2)·0.33CH(3)OH. Two mol-ecules related by a non-crystallographic pseudo-twofold rotation axis are linked via distinct inter-molecular N-H?N hydrogen bonds, leading to the formation of a dimer with an R(2) (2)(8) graph set. The third mol-ecule is connected to the methanol mol-ecule by O-H?N and N-H?O hydrogen bonds. There are a number of weak C-H?? inter-actions, with H?? distances ranging from 2.74 to 2.89?Å between the C-H groups and the aromatic benzene rings.

| S-EPMC2970393 | biostudies-literature

Bis[N-benzyl-2-(quinolin-8-yl-oxy)acetamide]dichloridocopper(II) acetonitrile solvate monohydrate.

Project description:In the title complex, [CuCl(2)(C(18)H(16)N(2)O(2))(2)]·CH(3)CN·H(2)O, the six-coordinated Cu atom is in a distorted octa-hedral geometry with the donor centers of two O atoms and two N atom from two bidentate ligands, and two chloride ions. In the crystal, pairs of inter-molecular N-H⋯ Cl hydrogen bonds form centrosymmetric dimers and inter-molecular O-H⋯ O hydrogen bonds between the ligand and the uncoordinated water mol-ecules link the dimers into chains parallel to the c axis.

| S-EPMC2983527 | biostudies-literature

Bis[4-(3-amino-phen-oxy)phen-yl] ketone.

Project description:In the mol-ecule of the title compound, C(25)H(20)N(2)O(3), the dihedral angles formed by adjacent benzene rings are 66.75?(8), 48.37?(8) and 71.43?(9)°. In the crystal structure, centrosymmetrically related mol-ecules are linked into dimers by inter-molecular N-H?O hydrogen bonds.

| S-EPMC2977108 | biostudies-literature

μ-Carbonato-bis-(bis-{2-[(diethyl-amino)-meth-yl]phen-yl}bis-muth(III)).

Project description:The mol-ecular structure of the title compound, [Bi(2)(C(11)H(16)N)(4)(CO(3))], consists of a symmetrically bridging carbonato group which binds two [2-Et(2)NCH(2)C(6)H(4)](2)Bi units that are crystallographically related via a twofold rotation axis bis-ecting the carbonate group. The two Bi atoms and two of the C atoms directly bonded to bis-muth are quasi-planar [deviations of 0.323 (1) and 0.330 (9)Å for the Bi and C atoms, respectively] with the carbonate group. The remaining two ligands are in a trans arrangement relative to the quasi-planar (CBi)(2)CO(3) system. The metal atom is strongly coordinated by the N atom of one pendant arm [Bi-N = 2.739 (6) Å], almost trans to the O atom, while the N atom of the other pendant arm exhibits a weaker intra-molecular inter-action [Bi⋯N = 3.659 (7) Å] almost trans to a C atom. If both these intra-molecular N→Bi inter-actions per metal atom are considered, the overall coordination geometry at bis-muth becomes distorted square-pyramidal [(C,N)(2)BiO cores] and the compound can be described as a hypervalent 12-Bi-5 species. Additional quite short intra-molecular Bi⋯O inter-actions are also present [3.796 (8)-4.020 (9) Å]. Inter-molecular associations through weak η(6)⋯Bi inter-actions [Bi⋯centroid of benzene ring = 3.659 (1) Å] lead to a ribbon-like supra-molecular association.

| S-EPMC3051654 | biostudies-literature

{Bis[2-(diphenyl-phosphino)phen-yl] ether-?P:P'}(dimethyl 2,2'-biphenyl-4,4'-dicarboxyl-ate-?N:N')copper(I) hexa-fluorido-phosphate acetonitrile solvate.

Project description:In the title compound, [Cu(C(14)H(12)N(2)O(4))(C(36)H(28)OP(2))]PF(6)·CH(3)CN, the Cu(I) ion is coordinated by two N atoms from the dimethyl 2,2'-biphenyl-4,4'-dicarboxyl-ate ligand and two P atoms from the bis-[2-(diphenyl-phosphino)phen-yl] ether ligand in a distorted tetra-hedral environment. In the cation, the short distance of 3.870?(4)?Å between the centroids of the benzene and phenyl rings suggests the existence of intra-molecular ?-? inter-actions.

| S-EPMC2977378 | 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