Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N,N,N,N-Tetra-kis(2-chloro-ethyl)-3,4-dimethyl-thio-phene-2,5-dicarboxamide.

ABSTRACT: In the title compound, C(16)H(22)Cl(4)N(2)O(2)S, the two imide groups adopt a trans arrangement relative to the central thienyl ring, so the four terminal 2-chloro-ethyl arms adopt different orientations. In the crystal, mol-ecules are linked by weak C-H?Cl and C-H?O hydrogen bonds into a three-dimensional network.

SUBMITTER: Tang YD

PROVIDER: S-EPMC2980083 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

N,N,N,N-Tetra-kis(2-chloro-ethyl)-3,4-dimethyl-thio-phene-2,5-dicarboxamide.

Tang Yi-Dan YD Geng Rong-Xia RX Zhou Cheng-He CH

Acta crystallographica. Section E, Structure reports online 20091212 Pt 1

In the title compound, C(16)H(22)Cl(4)N(2)O(2)S, the two imide groups adopt a trans arrangement relative to the central thienyl ring, so the four terminal 2-chloro-ethyl arms adopt different orientations. In the crystal, mol-ecules are linked by weak C-H⋯Cl and C-H⋯O hydrogen bonds into a three-dimensional network. ...[more]

PMID: 21579991

Similar Datasets

1,1'-(2,5-Dimethyl-thio-phene-3,4-di-yl)diethanone.

Project description:The title compound, C(10)H(12)O(2)S, crystallizes with four mol-ecules in the asymmetric unit. The main conformational difference between these mol-ecules is the orientation of the acetyl groups with respect to the ring. Whereas one acetyl group is only slightly twisted with respect to the thio-phene ring [C-C-C-O torsion angles = 165.7 (4), -164.6 (4), 164.3 (4) and -163.6 (4)°], the other acetyl group is markly twisted out of the ring plane [C-C-C-O torsion angles = -61.2 (6), 61.3 (7), -59.7 (7) and 59.9 (6)°]. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions into infinite chains along the c axis.

| S-EPMC3200822 | biostudies-literature

Diethyl 3,4-dimethyl-thieno[2,3-b]thio-phene-2,5-dicarboxyl-ate.

Project description:In the title compound, C14H16O4S2, the thieno[2,3-b]thio-phene ring systems are planar [maximum deviation = 0.008 (2) Å]. The mol-ecular conformation is stabilized by intra-molecular C-H⋯O hydrogen bonds, while the crystal packing is stabilized by C-H⋯O, C-H⋯π and π-π stacking [centroid-centroid distance = 3.6605 (14) Å] inter-actions, which lead to supra-molecular layers in the ab plane.

| S-EPMC3588935 | biostudies-literature

2,5-Diamino-thio-phene-3,4-dicarbonitrile.

Project description:In the title compound, C(6)H(4)N(4)S, the planar mol-ecule lies across a crystallographic mirror plane. In the crystal, the mol-ecules form centrosymmetric dimers through cyclic amino N-H⋯N hydrogen-bonding associations with cyano N-atom acceptors [graph set R(2) (2)(12)] and these dimers are extended through amine-cyano N-H⋯N associations into a three-dimensional network.

| S-EPMC3435714 | 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

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

Poly[tetra-aqua-bis-(μ(4)-thio-phene-2,5-dicarboxyl-ato)(μ(2)-thio-phene-2,5-dicarboxyl-ato)dieuropium(III)].

Project description:The three-dimensional coordination polymer, [Eu(2)(C(6)H(2)O(4)S)(3)(H(2)O)(4)](n), has been synthesized under hydro-thermal conditions. The asymmetric unit comprises one Eu(3+) cation, two aqua ligands and one and a half thiophene-2,5-dicarboxylate anions (the half-anion being completed by a twofold rotation axis). The Eu(3+) cation is eight-coordinated in a distorted dodeca-hedral geometry. The crystal structure features O-H⋯O hydrogen bonds.

| S-EPMC3414099 | biostudies-literature

N'(2),N'(5)-Bis[(E)-2-hy-droxy-benzyl-idene]-3,4-dimethyl-thio-phene-2,5-dicarbohydrazide.

Project description:In the title mol-ecule, C(22)H(20)N(4)O(4)S, both C=N bonds are in an E conformation. The benzene rings form dihedral angles of 12.10?(13) and 25.17?(12)° with the thio-phene ring. The dihedral angle between the two benzene rings is 17.59?(14)°. There are two intra-molecular O-H?N hydrogen bonds. In the crystal, N-H?O hydrogen bonds connect mol-ecules into chains along [010].

| S-EPMC3379339 | biostudies-literature

3,4-Di-methyl-thieno[2,3-b]thio-phene-2,5-dicarbo-nitrile.

Project description:The asymmetric unit of the title compound, C10H6N2S2, contains two crystallographically independent but conformationally similar mol-ecules. The fused thio-phene ring cores are almost planar [maximum deviation = 0.027?(3)?Å] with the thio-phene rings forming dihedral angles of 0.5?(4)° in one mol-ecule and 1.91?(4)° in the other. The crystal packing is stabilized only by van der Waals inter-actions.

| S-EPMC3793767 | biostudies-literature

Tetra-ethyl 1,1'-(ethane-1,2-di-yl)bis-(2,5-dimethyl-1H-pyrrole-3,4-dicarboxyl-ate).

Project description:The asymmetric unit of the title compound, C(26)H(36)N(2)O(8), comprises two independent mol-ecules. In each mol-ecule, the two pyrrole rings are linked by a -CH(2)CH(2)- bridge, with dihedral angles between the two pyrrole rings of 14.5?(3) and 16.4?(3)° in the two mol-ecules. Each pyrrole ring carries 2- and 5-methyl substituents and eth-oxy-carbonyl groups at the 3- and 5-positions.

| S-EPMC3011439 | 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

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