Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3,3'-(Ethane-1,2-di-yl)bis-(2-thioxo-1,3-oxazolidin-4-one).

ABSTRACT: The asymmetric unit of the title compound, C(8)H(8)N(2)O(4)S(2), contains one half of a centrosymmetric mol-ecule. A short C?O distance of 3.012?(4)?Å between the carbonyl groups of neighbouring mol-ecules indicates the presence of dipole-dipole inter-actions. The crystal packing exhibits also weak inter-molecular O?S [3.239?(3)?Å] and C-H?O inter-actions.

SUBMITTER: Ge C

PROVIDER: S-EPMC2960409 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3,3'-(Ethane-1,2-di-yl)bis-(2-thioxo-1,3-oxazolidin-4-one).

Ge Chunhua C Guo Ya'nan Y Zhang Xiangdong X Zhang Xiaoyan X Liu Qitao Q

Acta crystallographica. Section E, Structure reports online 20080123 Pt 2

The asymmetric unit of the title compound, C(8)H(8)N(2)O(4)S(2), contains one half of a centrosymmetric mol-ecule. A short C⋯O distance of 3.012 (4) Å between the carbonyl groups of neighbouring mol-ecules indicates the presence of dipole-dipole inter-actions. The crystal packing exhibits also weak inter-molecular O⋯S [3.239 (3) Å] and C-H⋯O inter-actions. ...[more]

PMID: 21201526

Similar Datasets

3,3'-(Ethane-1,2-di-yl)bis-(3,4-dihydro-2H-1,3-benzoxazine).

Project description:The title compound, C(18)H(20)N(2)O(2), was prepared by Mannich-type reaction of phenol, ethane-1,2-diamine and formaldehyde. The heterocyclic rings adopt half-chair conformations. The acyclic methyl-ene groups attached to the N atoms are in an axial position. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules into dimers. These dimers are further connected via C-H?? contacts.

| S-EPMC3254492 | biostudies-literature

3,3'-(Ethane-1,2-di-yl)bis-(6-methyl-3,4-dihydro-2H-1,3-benzoxazine).

Project description:The asymmetric unit of the title compound, C(20)H(24)N(2)O(2), contains one half-mol-ecule, which is completed by inversion symmetry. In the crystal, mol-ecular chains are formed through non-classical C-H?O hydrogen bonds, formed between axial H atoms of the oxazine ring and a O atom of a neighboring mol-ecule.

| S-EPMC3213478 | biostudies-literature

2,2'-Bis(methyl-ene)-3,3'-(2-thioxo-2,3-dihydro-1H-benzimidazole-1,3-di-yl)dipropane-nitrile.

Project description:In the title compound, C(15)H(12)N(4)S, the benzimidazole ring is essentially planar, with a mean deviation of 0.0082?(1)?Å from the least-squares plane defined by the nine constituent atoms. In the crystal, inversion dimers linked by pairs of C-H?N hydrogen bonds occur.

| S-EPMC2971137 | biostudies-literature

1,2-Bis(di-2-pyridylphosphino-yl)ethane.

Project description:The crystal structure of the title compound, C(22)H(20)N(4)O(2)P(2), consists of two independent half-mol-ecules, both of which lie on crystallographic inversion centres. There are no significant differences between the two mol-ecules.

| S-EPMC2968607 | biostudies-literature

2,2'-[(1S,2S)-1,2-Bis(2-hy-droxy-phen-yl)ethane-1,2-di-yl]bis(isoindoline-1,3-dione) ethanol monosolvate hemihydrate.

Project description:In the title compound, C30H20N2O6·C2H6O·0.5H2O, the solvent water mol-ecule lies on a twofold rotation axis. The dihedral angle between the essentially planar isoindole ring systems [maximum deviations = 0.028?(1) and 0.022?(1)?Å] is 47.12?(5)°. The dihedral angle between the benzene rings is 81.32?(7)°. In the crystal, the components are linked into a three-dimensional network via O-H?O hydrogen bonds.

| S-EPMC3588493 | biostudies-literature

1,1'-(Ethane-1,2-di-yl)bis-(1,4,7-triazonane).

Project description:In the centrosymmetric title compound (dtne), C(14)H(32)N(6), two 1,4,7-triaza-cyclo-nonane (tacn, or 1,4,7-triazonane) moieties are linked together each at an amino position by a single ethyl-ene spacer. The mol-ecular packing is supported by pairs of inter-molecular N-H?N hydrogen bonds, which form R(2) (2)(22) ring motifs and link the mol-ecules into infinite chains running parallel to the a axis.

| S-EPMC2979561 | biostudies-literature

1,1'-(Ethane-1,2-di-yl)dipyridinium bis-(iodate).

Project description:The title salt, C(12)H(14)N(2) (2+)·2IO(3) (-), exhibits two crystallographically independent iodate anions, the I atoms of which are each in a trigonal-pyramidal environment. In the dication, the two pyridine rings adopt an anti conformation with respect to each other; the angle between these two rings is 3.84 (19)°. In the crystal structure, C-H⋯O hydrogen bonds between the cations and anions lead to the formation of layers arranged parallel to the ab plane. I⋯O halogen bonds [R(2) (2)(4) graph-set motif] range between 2.873 (2) and 3.036 (3) Å and connect neighbouring IO(3) (-) anions with each other along [100], so as to create a three-dimensional network.

| S-EPMC3151914 | biostudies-literature

1,1'-(Ethane-1,2-di-yl)bis-(indoline-2,3-dione).

Project description:The mol-ecule of the title compound, C(18)H(12)N(2)O(4), is situated on a crystallographic centre of symmetry. The mol-ecule has a zigzag structure, with two parallel symmetry-related indoline-2,3-dione fragments linked by an ethyl-ene group at each N atom. In the crystal, the mol-ecules stack in columns along the b axis. There are two such columns in the structure. The mol-ecules within each column are parallel; however, the mol-ecules in the two columns differ in the respective orientation of the indoline-2,3-dione fragments. In one column, they are approximately parallel to (112), while in the other they are approximately parallel to (12). The inter-planar angle between the indoline-2,3-dione fragments in the two columns is 80.83?(3)°. The mol-ecules within each column are related by mutual displacement of their centres of symmetry, that is (0, ±1/2, ±1/2). The packing between the mol-ecules is provided by weak inter-actions only, viz. C-H?O hydrogen bonds and ?-? [centroid-centroid distance = 3.8745?(8)?Å] and C=O?? inter-actions.

| S-EPMC3006689 | biostudies-literature

Crystal structure and C-H?F hydrogen bonding in the fluorinated bis-benzoxazine: 3,3'-(ethane-1,2-di-yl)bis-(6-fluoro-3,4-di-hydro-2<i>H</i>-1,3-benzoxazine).

Project description:The title fluorinated bis-benzoxazine, C18H18F2N2O2, crystallizes with one half-mol-ecule in the asymmetric unit, which is completed by inversion symmetry. The fused oxazine ring adopts an approximately half-chair conformation. The two benzoxazine rings are oriented anti to one another around the central C-C bond. The dominant inter-molecular inter-action in the crystal structure is a C-H?F hydrogen bond between the F atoms and the axial H atoms of the OCH2N methyl-ene group in the oxazine rings of neighbouring mol-ecules. C-H?? contacts further stabilize the crystal packing.

| S-EPMC5050787 | biostudies-literature

1,1'-(Ethane-1,2-di-yl)bis-(3-phenyl-thio-urea).

Project description:The complete molecule of the title compound, C(16)H(18)N(4)S(2), is generated by crystallographic inversion symmetry. The dihedral angle between the phenyl ring and the thio-urea group is 52.9?(4)°. The crystal structure displays inter-molecular N-H?S hydrogen bonding, which generates sheets in the ab plane.

| S-EPMC3247560 | 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