Browse
Submit Data
Databases
API
Help

Dataset Information

36 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Ziegler CJ

PROVIDER: S-EPMC3435714 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Ziegler Christopher J CJ Nemykin Victor N VN

Acta crystallographica. Section E, Structure reports online 20120811 Pt 9

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. ...[more]

PMID: 22969585

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

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

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

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

Diethyl 3,4-bis-(2,5-dimethoxy-benz-yl)thieno[2,3-b]thio-phene-2,5-di-car-boxylate.

Project description:In the title compound, C(30)H(32)O(8)S(2), the dihedral angle between the two benzene rings is 18.8?(1)°. The mol-ecular structure is stabilized by weak intra-molecular C-H?O hydrogen bonds. In the crystal structure, the mol-ecules are linked via weak inter-molecular C-H?O hydrogen bonds and ?-? inter-actions between two benzene rings [centroid-centroid distance = 3.672?(1)?Å].

| S-EPMC2971147 | biostudies-literature

Diethyl 2,5-bis-[(E)-2-furylmethyl-ene-amino]thio-phene-3,4-dicarboxyl-ate.

Project description:The title compound, C(20)H(18)N(2)O(6)S, crystallizes as two independent mol-ecules that are disposed about a pseudo-inversion center (1/2, 1/4, 1/8). The mean planes of the two terminal furyl rings are twisted with respect to the central thio-phene ring by 7.33 (4) and 21.74 (5)° in one mol-ecule, and by 6.91 (4) and 39.80 (6)° in the other.

| S-EPMC2960980 | 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

2,5-Dihexyl-thio-phene 1,1-dioxide.

Project description:In the title mol-ecule, C16H28O2S, the two n-hexyl groups are in all-trans conformations. Their C atoms are situated close to the plane of the thio-phene ring with a maximum deviation of 0.718?(6)?Å for one of the terminal methyl groups. In the crystal, a short C-H?O contact is observed between thio-phene 1,1-dioxide groups.

| S-EPMC3589018 | biostudies-literature

2,5-Dichloro-thio-phene 1,1-dioxide.

Project description:The complete mol-ecule of the title compound, C(4)H(2)Cl(2)O(2)S, is generated by crystallographic twofold symmetry, with the S atom lying on the rotation axis. In the crystal, the molecules are linked by C-H?O hydrogen bonds..

| S-EPMC2972006 | biostudies-literature

3-Amino-5-(piperidin-1-yl)thio-phene-2,4-dicarbonitrile.

Project description:In the title compound, C(11)H(12)N(4)S, the thio-phene ring is roughly planar, with a maximum deviation of 0.012?(1)?Å for the S atom, and makes a dihedral angle of 7.89?(8)° with the mean plane of the piperidine ring, which is in a chair conformation. The crystal packing is stabilized by pairs of centrosymmetric inter-molecular N-H?N hydrogen bonds, which results in the formation of a step-wise chain parallel to [10[Formula: see text]].

| S-EPMC3254482 | 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