Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,5-Bis{[(-)-(S)-1-(4-methyl-phen-yl)eth-yl]imino-meth-yl}thio-phene.

ABSTRACT: The title chiral bis-aldimine, C24H26N2S, was synthesized using a solvent-free Schiff condensation. The mol-ecule displays crystallographic C 2 symmetry, with the S atom lying on the twofold axis parallel to [100]. As a consequence of the (S,S) stereochemistry, the tolyl groups are oriented towards opposite faces of the thiophene core, giving a twisted conformation for the whole mol-ecule. Mol-ecules are arranged in the crystal in a herringbone-like pattern, without any significant inter-molecular contacts.

SUBMITTER: Bernes S

PROVIDER: S-EPMC3884388 | biostudies-other | 2013

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2,5-Bis{[(-)-(S)-1-(4-methyl-phen-yl)eth-yl]imino-meth-yl}thio-phene.

Bernès Sylvain S Hernández-Téllez Guadalupe G Sharma Manju M Portillo-Moreno Oscar O Gutiérrez René R

Acta crystallographica. Section E, Structure reports online 20130814 Pt 9

The title chiral bis-aldimine, C24H26N2S, was synthesized using a solvent-free Schiff condensation. The mol-ecule displays crystallographic C 2 symmetry, with the S atom lying on the twofold axis parallel to [100]. As a consequence of the (S,S) stereochemistry, the tolyl groups are oriented towards opposite faces of the thiophene core, giving a twisted conformation for the whole mol-ecule. Mol-ecules are arranged in the crystal in a herringbone-like pattern, without any significant inter-molecul ...[more]

PMID: 24427060

Similar Datasets

2,5-Bis{[(-)-(S)-1-(4-bromo-phen-yl)eth-yl]imino-meth-yl}thio-phene.

Project description:The title compound, C22H20Br2N2S, was synthesized under solvent-free conditions. The mol-ecule shows crystallographic C 2 symmetry, with the S atom of the central thio-phene ring lying on a twofold rotation axis. Furthermore, as a consequence of the (S,S) stereochemistry, the mol-ecule has a twisted conformation. The dihedral angle between the thio-phene and benzene rings is 72.7 (2)° and that between the two benzene rings is 55.9 (2)°. In the crystal, mol-ecules are arranged in a chevron-like pattern, without any significant inter-molecular inter-actions.

| S-EPMC3998402 | biostudies-literature

3,4-Dinitro-2,5-bis-[4-(trifluoro-meth-yl)phen-yl]thio-phene.

Project description:The title compound, C(18)H(8)F(6)N(2)O(4)S, is a precursor for the production of low-band-gap conjugated polymers. In the crystal structure, the dihedral angles between the thio-phene and benzene rings are 35.90?(8) and 61.94?(8)°, and that between the two benzene rings is 40.18?(8)°. The two nitro groups are twisted with respect to the thio-phene ring, the dihedral angles being 53.66?(10) and 31.63?(10)°. Weak inter-molecular C-H?O hydrogen bonding helps to stabilize the crystal structure.

| S-EPMC2969454 | biostudies-literature

Bis(2-meth-oxy-6-{[2-(methyl-ammonio)eth-yl]imino-meth-yl}phenolato)thio-cyanato-zinc(II) thio-cyanate hemihydrate.

Project description:The title mononuclear zinc(II) complex, [Zn(C(11)H(16)N(2)O(2))(2)(NCS)]NCS·0.5H(2)O, consists of a complex cation, a thio-cyanate anion, and half of a water mol-ecule. The Zn(II) atom in the cation is five-coordinated by two imine N and two phenolate O atoms from two bidentate Schiff base ligands, and by one N atom of a thio-cyanate ligand, forming a distorted trigonal-bipyramidal geometry. The ammonio H atoms are involved in hydrogen bonding with the ligand O atoms and the solvent water molecules (site occupation factor 0.5), which partially determines the conformation of the ligands.

| S-EPMC2969465 | biostudies-literature

2,5-Bis(1,1,3,3-tetra-methyl-butyl)thio-phene.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(20)H(36)S. Crystals are non-merohedrally twinned by twofold rotation about [001]. The bulky octyl groups of each mol-ecule are on the same side of the thio-phene plane and are approximately parallel. S-C distances are in the range 1.729 (4)-1.745 (3) Å, and the C-S-C angles are 92.98 (18) and 93.08 (17)°. The CH(2) groups of the octyl groups are involved in weak C-H⋯S intra-molecular inter-actions.

| S-EPMC2960047 | biostudies-literature

2,5-Bis(9H-carbazol-9-yl)thio-phene.

Project description:The mol-ecules of the title compound, C(28)H(18)N(2)S, are built up from two triply-fused rings and one five-membered ring, with dihedral angles of 66.12 (8) and 70.96 (7)° between the central thio-phene ring and the two triply-fused rings.

| S-EPMC2960087 | biostudies-literature

4-Meth-oxy-2-{(E)-[(thio-phen-2-yl)methyl-imino]-meth-yl}phenol.

Project description:The title Schiff base, C(13)H(13)NO(2)S, adopts the phenol-imine tautomeric form and reveals an intra-molecular O-H⋯N hydrogen bond involving the hy-droxy group and the imino N atom, forming an S(6) ring. The mol-ecule is highly twisted with respect to the central imine group, which is reflected in the dihedral angle of 67.83 (10)° formed by the thienyl and phenol rings. The crystal packing is characterized by weak C-H⋯O and C-H⋯π inter-actions.

| S-EPMC3435828 | biostudies-literature

(E)-3-[(2-Methyl-4-nitro-phen-yl)imino-meth-yl]-1-benzothio-phene.

Project description:In the title conpound, C(16)H(12)N(2)O(2)S, the 1-benzothio-phene residue and the substituted benzene ring are oriented at a dihedral angle of 53.36?(6)°. The mol-ecular conformation features a short C-H?N contact. There are no significant inter-molecular contacts.

| S-EPMC3275043 | biostudies-literature

Diethyl 3,4-bis(acetoxy-meth-yl)thieno[2,3-b]thio-phene-2,5-dicarboxyl-ate.

Project description:In the title compound, C(18)H(20)O(8)S(2), the dihedral angle between the two thio-phene rings is 2.33?(7)°. The methyl C atoms of the ester groups are disordered over two positions; the site-occupancy factors of the terminal methyl C atoms are 0.632?(18):0.368?(18) and 0.623?(17):0.377?(17). The mol-ecular structure is stabilized by weak intra-molecular C-H?O inter-actions and the crystal structure is stabilized through weak inter-molecular C-H?O inter-actions.

| S-EPMC2970297 | biostudies-literature

2-((E)-{4-[Bis(4-eth-oxy-phen-yl)amino]-phen-yl}imino-meth-yl)phenol.

Project description:In the title Schiff base mol-ecule, C29H28N2O3, the three terminal benzene rings are twisted by 73.84 (15), 81.25 (16) and 12.1 (2)° with respect to the central benzene ring. An intra-molecular O-H⋯N hydrogen bond occurs. In the crystal, mol-ecules are linked via weak C-H⋯π inter-actions into a three-dimensional supra-molecular architecture.

| S-EPMC3998452 | biostudies-literature

Bis{2-eth-oxy-6-[2-(methyl-ammonio)ethyl-imino-meth-yl]phenolato}thio-cyanato-zinc(II) nitrate.

Project description:In the title compound, [Zn(NCS)(C(12)H(18)N(2)O(2))(2)]NO(3), the Zn(II) ion is chelated by the phenolate O and imine N atoms from two zwitterionic Schiff base ligands and is also coordinated by the N atom of a thio-cyanate ligand, giving a distorted trigonal-bipyramidal geometry. Intra-molecular N-H?O hydrogen bonds are observed in the complex cation. The nitrate anions are linked to the complex cations through N-H?O hydrogen bonds.

| S-EPMC2979686 | 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