Browse
Submit Data
Databases
API
Help

Dataset Information

13 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Furan-2-yl)[(furan-2-yl)carbonyl-disul-fanyl]methanone.

ABSTRACT: The mol-ecule of the title compound, C(10)H(6)O(4)S(2), has crystallographically imposed twofold symmetry. The dihedral angle formed by the furan rings is 80.90?(8)°. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds into chains running parallel to the a axis [C-S-S-C torsion angle = 82.04 (11)°].

SUBMITTER: Wang Q

PROVIDER: S-EPMC3247447 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(Furan-2-yl)[(furan-2-yl)carbonyl-disul-fanyl]methanone.

Wang Qian Q Shu Youqin Y Hou Xuehui X

Acta crystallographica. Section E, Structure reports online 20111029 Pt 11

The mol-ecule of the title compound, C(10)H(6)O(4)S(2), has crystallographically imposed twofold symmetry. The dihedral angle formed by the furan rings is 80.90 (8)°. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds into chains running parallel to the a axis [C-S-S-C torsion angle = 82.04 (11)°]. ...[more]

PMID: 22220065

Similar Datasets

Bis[5-(4-methoxy-benz-yl)furan-3-yl]methanone.

Project description:The title compound, C(25)H(22)O(5), was obtained by a dehydrogenative carbonyl-ation reaction. It crystallizes with one half-mol-ecule in the asymmetric unit. The mol-ecules have crystallographic C(2) symmetry and the two atoms of the carbonyl group are located on the rotation axis. The meth-oxy groups are coplanar with the benzene ring to which they are attached [C-C-O-C = 1.0?(6)°]. The two furan rings are inclined at 17.3?(3)° with respect to each other and the dihedral angle between the furan ring and the benzene ring is 75.83?(12)°. The crystal structure is stabilized by C-H?O hydrogen bonds.

| S-EPMC2970307 | biostudies-literature

(Naphthalen-1-yl){2-[(5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]phenyl}methanone.

Project description:The title compound C28H22O2, basically consists of three ring systems, viz. a central benzene ring, with a lateral napthalene group to which it subtends a dihedral angle of 66.56?(4)° and a tetra-hydro-pyran ring exhibiting a half-chair conformation. The mol-ecular structure is stabilized by a weak intra-molecular C-H?O inter-action, while the crystal packing features weak C-H?? contacts.

| S-EPMC3793712 | biostudies-literature

Crystal structure of (3,5-dibromo-2-hy-droxyphenyl){1-[(naphthalen-1-yl)carbonyl]-1H-pyrazol-4-yl}methanone.

Project description:In the title compound, C21H12Br2N2O3, a 1,4-diaroyl pyrazole derivative, the dihedral angles between the naphthalene ring system and the pyrazole ring, the pyrazole and benzene rings, and the naphthalene ring system and benzene ring are 50.0?(2), 51.1?(2) and 1.34?(16)°, respectively. The phenolic proton forms an intra-molecular O-H?O hydrogen bond with the adjacent carbonyl O atom. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming inversion dimers. The dimers are linked by C-H?Br hydrogen bonds, forming double stranded chains along [01-1]. The chains are linked by ?-? inter-actions between the pyrazole rings and between the naphthalene and benzene rings [centroid-centroid distances = 3.592?(4) and 3.632?(4)?Å, respectively].

| S-EPMC4186182 | biostudies-literature

Crystal structure of (4-chloro-phen-yl)[2-(10-hy-droxy-phenanthren-9-yl)phenanthro[9,10-b]furan-3-yl]methanone.

Project description:In the title compound, C37H21ClO3, the dihedral angle between the two phenanthrene moieties is 57.79?(5)°. The furan and one of the phenanthrene groups are fused in an almost coplanar arrangement [dihedral angle = 5.14?(8)°] and the furan unit makes dihedral angles of 70.27?(11) and 57.58?(8)° with the planes of the phenyl and the second phenanthrene group, respectively. In the crystal, neighbouring mol-ecules are connected via two inter-molecular hydrogen-bonding inter-actions (O-H?O and C-H?O) towards the carbonyl O atom with donor-acceptor distances of 2.824?(2) and 3.277?(3)?Å, creating an inversion dimer. A non-classical C-H?Cl inter-action [3.564?(2)?Å] and three C-H?? inter-actions, with C?? distances of 3.709?(3), 3.745?(2) and 3.628?(3)?Å, connect the mol-ecules, forming a three-dimensional supra-molecular architecture in the solid state.

| S-EPMC4257253 | biostudies-literature

cis-Bis[1,1-dibenzyl-3-(furan-2-yl-carbonyl)thio-ureato-?O,S]copper(II).

Project description:In the title compound, [Cu(C(20)H(17)N(2)O(2)S)(2)], the Cu(II) atom is coordinated by the S and O atoms of two 1,1-dibenzyl-3-(furan-2-ylcarbon-yl)thio-ureate ligands in a distorted square-planar geometry. The two O and two S atoms are mutually cis to each other. The Cu-S and Cu-O bond lengths lie within the ranges of those found in related structures. The dihedral angle between the planes of the two chelating rings is 26.15?(6)°.

| S-EPMC3089162 | biostudies-literature

{?-5-[1,3-Bis(2,4,6-trimethyl-phen-yl)-3H-imidazolium-2-yl]-2-(2-oxoethenyl-1?C)furan-3-yl-2?C}-?-hydrido-bis(tetra-carbonyl-rhenium) tetra-hydro-furan 0.67-solvate.

Project description:The title complex, [Re(2)(C(27)H(25)N(2)O(2))H(CO)(8)]·0.67C(4)H(8)O, was formed as a product in the reaction of a rhenium(I)-Fischer carbene complex with a free NHC carbene. The coordination environment about the two Re atoms is slightly distorted octahedral, including a bridging H atom. The imidazolium and furan groups are almost coplanar, whereas the mesityl substituents show an almost perpendicular arrangement with respect to both heterocyclic units. Mol-ecules of the complex pack in such a way as to form channels parallel with the bc unit-cell face diagonal running through the unit face diagonal. These channels are partially occupied by tetra-hydro-furan solvent mol-ecules.

| S-EPMC3297260 | biostudies-literature

(Furan-2-yl)(5-hy-droxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone.

Project description:In the title compound, C(15)H(14)N(2)O(3), the furan ring is disordered over two positions with a refined site-occupancy ratio of 0.587?(11):0.413?(11). The mean plane of the approximately planar pyrazole ring [maximum deviation = 0.0469?(11)?Å] makes dihedral angles of 86.13?(11) and 4.5?(5)° with the phenyl and furan rings, respectively. The dihedral angle between the phenyl ring and the major component of the disordered furan ring is 81.8?(5)°. The mol-ecule shows chirality in one of the carbon atoms but the centrosymmetric space group means the compound is a racemic mixture. In the crystal, inter-molecular O-H?O and C-H?O hydrogen bonds connect the mol-ecules. The crystal structure is further stabilized by ?-? stacking inter-actions with a centroid-centroid distance of 3.8646?(12)?Å.

| S-EPMC3051505 | biostudies-other

[6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexa-hydro-1H-pyrido[1,2-a]pyrimidin-9-yl](phen-yl)methanone.

Project description:The asymmetric unit of the title compound, C19H19N3O4, contains two mol-ecules with very few conformational differences; a C atom in the pyrimidine ring in one of the mol-ecules is disordered in a 0.688?(15):0.312?(15) ratio. In both mol-ecules, the fused pyridine and pyrimidine rings adopt half-chair conformations. The dihedral angles between the furan and benzene rings are 81.00?(13) and 84.99?(10)° in the two mol-ecules. The mol-ecular structure is consolidated by intra-molecular N-H?O hydrogen bonding. In the crystal, C-H?O hydrogen bonds connect the molecules into a three-dimensional network.

| S-EPMC3685119 | biostudies-other

(Anthracen-9-yl)(piperidin-1-yl)-methanone.

Project description:The title compound, C(20)H(19)NO, is a substructure of CP-640186, a potent inhibitor of mammalian acetyl-coenzyme A carboxyl-ases. In the crystal structure, the amide group forms a dihedral angle of 87.0?(1)° with the plane of the anthracene unit and the piperidine ring adopts a chair conformation. Mol-ecules are arranged into layers parallel to (100) and adjacent anthracene units within layers form dihedral angles of 13.2?(1)°. C-H?O inter-actions from the piperidine rings to the C=O group of the amide are observed between layers.

| S-EPMC2959661 | biostudies-literature

(Adamantan-1-yl)(phenyl-sulfan-yl)methanone.

Project description:Two independent mol-ecules (A and B) comprises the asymmetric unit of the title ester, C(17)H(20)OS. The phenyl ring is inclined with respect to the thio-carboxyl group, forming dihedral angles of 58.95 (6) (in mol-ecule A) and 62.28 (6)° (in mol-ecule B). In each independent mol-ecule, one adamantyl methyl-ene C atom is nearly coplanar with the thio-carboxyl group. The major difference between mol-ecules A and B relates to the relationship between the S atom and the coplanar adamantyl methyl-ene C atom [C(a)-C(q)-C(c)-S torsion angles = 178.25 (8) and 6.81 (13)°, respectively; C(a) = adamantyl methyl-ene C atom, C(q) = quaternary C atom and C(c) = carbonyl C atom], whereby the S atom in mol-ecule A has an anti relationship with the methyl-ene C atom and in mol-ecule B, the S atom is syn. In the crystal, C-H⋯π inter-actions are formed leading to supra-molecular layers in the ac plane.

| S-EPMC3393917 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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