Browse
Submit Data
Databases
API
Help

Dataset Information

31 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[[bis-(ethanol-?O)mangan-ese(II)]-?-2,5-di-chloro-3,6-di-oxo-cyclo-hexa-1,4-diene-1,4-bis-(olato)-?(4) O (1),O (6):O (3),O (4)].

ABSTRACT: In the title coordination polymer, [Mn(C6Cl2O4)(C2H5OH)2] n , the Mn(II) atom and the chloranilate [systematic name: 2,5-di-chloro-3,6-dioxo-cyclo-hexa-1,4-diene-1,4-bis-(olate)] ion lie on crystallographic inversion centers. The geometry around the Mn(II) atom is a distorted octa-hedron involving four O atoms of two chloranilate ions and two O atoms from two ethanol mol-ecules. The chloranilate ion serves as a bridging ligand between the Mn(II) ions, leading to an infinite linear chain along the b-axis direction. The chains are linked by O-H?O hydrogen bonds between the apically coordinating ethanol mol-ecule and the chloranilate ion, affording a two-dimensional layer expanding parallel to the ab plane.

SUBMITTER: Tanaka S

PROVIDER: S-EPMC3998436 | biostudies-literature | 2014 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

catena-Poly[[bis-(ethanol-κO)mangan-ese(II)]-μ-2,5-di-chloro-3,6-di-oxo-cyclo-hexa-1,4-diene-1,4-bis-(olato)-κ(4) O (1),O (6):O (3),O (4)].

Tanaka Seiya S Himegi Akiko A Ohishi Tomomi T Fuyuhiro Akira A Kawata Satoshi S

Acta crystallographica. Section E, Structure reports online 20140208 Pt 3

In the title coordination polymer, [Mn(C6Cl2O4)(C2H5OH)2] n , the Mn(II) atom and the chloranilate [systematic name: 2,5-di-chloro-3,6-dioxo-cyclo-hexa-1,4-diene-1,4-bis-(olate)] ion lie on crystallographic inversion centers. The geometry around the Mn(II) atom is a distorted octa-hedron involving four O atoms of two chloranilate ions and two O atoms from two ethanol mol-ecules. The chloranilate ion serves as a bridging ligand between the Mn(II) ions, leading to an infinite linear chain along th ...[more]

PMID: 24764952

Similar Datasets

2,5-Di-bromo-3,6-dimeth-oxycyclo-hexa-2,5-diene-1,4-dione.

Project description:In the structure of the title compound, C8H6Br2O4, the complete mol-ecule is generated by the application of a centre of inversion. The mol-ecule is planar (r.m.s. deviation for all non-H atoms but methyl C = 0.0358?Å), with only the methyl groups being deviated from the plane [by ±0.321?(4)?Å]. In the crystal packing, Br?O(methoxy) halogen bonds [3.2407?(19)?Å] connect molecules into supramolecular layers parallel to (101).

| S-EPMC4051031 | biostudies-literature

2,5-Dichloro-3,6-diisopropyl-cyclo-hexa-2,5-diene-1,4-dione.

Project description:The mol-ecule of the title compound, C(12)H(14)Cl(2)O(2), lies about an inversion center. The six-membered ring is almost planar, with the largest deviation from the least-squares plane being 0.014 (4) Å. The mol-ecular conformation is stabilized by a weak intra-molecular C-H⋯O hydrogen bond. In the crystal, mol-ecules are packed into stacks along the c-axis direction, with an inter-centroid separation of 4.811 (2) Å. Neighboring mol-ecules within the stack are related by the c-glide plane.

| S-EPMC3435695 | biostudies-literature

N (1),N (4)-Diphenyl-3,6-bis-(phenyl-imino)-cyclo-hexa-1,4-diene-1,4-di-amine.

Project description:In the title compound, C30H24N4, the central benzo-quinonedi-imine moiety is approximately planar, with a maximum deviation of 0.044 (14) Å. The four terminal phenyl rings are twisted by 44.95 (11), 54.90 (10), 44.98 (10) and 50.68 (11)° with respect to the mean plane the benzo-quinonedi-imine unit. In the crystal, mol-ecules are linked by weak C-H⋯π inter-actions into supra-molecular chains running along the b-axis direction.

| S-EPMC3998435 | biostudies-literature

Crystal structure of dimethyl 2,5-bis-[(di-phen-oxy-phosphor-yl)-oxy]cyclo-hexa-1,4-diene-1,4-di-carboxyl-ate.

Project description:In the title compound, C34H30O12P2, which was synthesized via the esterification of dimethyl 2,5-dioxo-1,4-cyclo-hexa-nedi-carboxyl-ate with diphenyl chloro-phosphate, the mol-ecule has crystallographic inversion symmetry. The dihedral angles between the plane of the cyclo-hexa-1,4-diene ring and those of the two benzene rings of the substituent phosphate groups are 41.0 (1) and 89.5 (1)°, while that with the ester group is 3.1 (3)°. In the crystal, only weak inter-molecular C-H⋯O hydrogen bonds are present.

| S-EPMC4459327 | biostudies-literature

Cyclo-hexa-2,5-diene-1,4-dione-1,2,4,5-tetra-fluoro-3,6-diiodo-benzene (1/1).

Project description:The asymmetric unit of the title co-crystal adduct, C(6)H(4)O(2)·C(6)F(4)I(2), comprises a half-mol-ecule each of cyclo-hexa-2,5-diene-1,4-dione and 1,2,4,5-tetra-fluoro-3,6-diiodo-benzene. The C(6)F(4)I(2) mol-ecule is almost planar (r.m.s. deviation = 0.0062?Å). In the crystal, the components are connected through O?I halogen bonds [3.017?(11)?Å], leading to the formation of wavelike chains along the a axis. The crystal packing also features C-H?F inter-actions.

| S-EPMC3344551 | biostudies-literature

An ortho-rhom-bic polymorph of N (1),N (4)-diphenyl-3,6-bis-(phenyl-imino)-cyclo-hexa-1,4-diene-1,4-di-amine.

Project description:A new ortho-rhom-bic polymorph of the title compound, C30H24N4, with a density of 1.315 Mg m(-3), has been obtained. The mol-ecule is centrosymmetric with the centroid of the cyclo-hexa-1,4-diene ring located on an inversion center. The two unique benzene rings are almost perpendicular to each other [dihedral angle = 86.70 (6)°] and are oriented at dihedral angles of 30.79 (5) and 68.07 (5)° with respect to the central cyclo-hexa-diene ring. In the crystal, π-π stacking is observed between the central cyclo-hexa-1,4-diene-1,4-di-amine unit and a phenyl ring of a neighboring mol-ecule [centroid-centroid distance = 3.7043 (7) Å]. The crystal structure of the triclinic polymorph [Ohno et al. (2014 ▶). Acta Cryst. E70, o303-o304] showed chains running along the b-axis direction through weak C-H⋯π inter-actions.

| S-EPMC3998558 | biostudies-literature

catena-Poly[[[(2,2'-bipyridine-?(2)N,N')manganese(II)]-?-(2,5-dichloro-3,6-dioxocyclo-hexa-1,4-diene-1,4-diolato)-?(4)O(1),O(6):O(3),O(4)] ethanol disolvate].

Project description:The asymmetric unit of the title coordination polymer, {[Mn(C(6)Cl(2)O(4))(C(10)H(8)N(2))]·2C(2)H(5)OH}(n), consists of one Mn(II) ion, one 2,2'-bipyridine (bpy) ligand, one chloranilate (CA(2-)) ligand and two ethanol solvent mol-ecules. The Mn(II) ion is octa-hedrally coordinated by two N atoms of one bpy ligand and four O atoms of two chloranilate ions. The chloranilate ion serves as a bridging ligand between the Mn(II) ions, leading to an infinite zigzag chain along [101]. ?-? stacking inter-actions [centroid-centroid distance = 4.098?(2)?Å] is observed between the pyridine rings of adjacent chains. The ethanol mol-ecules act as accepters as well as donors for O-H?O hydrogen bonds, and form a hydrogen-bonded chain along the a axis. The H atoms of the hy-droxy groups of the two independent ethanol mol-ecules are each disordered over two sites with equal occupancies.

| S-EPMC3569209 | biostudies-literature

Bis(2-{[3-methyl-4-(2,2,2-trifluoro-eth-oxy)-2-pyrid-yl]methyl-sulfan-yl}-1H,3H-benzimidazolium) 2,5-dichloro-3,6-dioxocyclo-hexa-1,4-diene-1,4-diolate.

Project description:The title salt, 2C(16)H(15)F(3)N(3)OS(+)·C(6)Cl(2)O(4) (2-), is composed of two independent cations of a lansoprazole {systematic name 2-([3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl)-1H-benzo[d]imidazole} inter-mediate and a dianion of chloranilic acid. In the cations of the lansoprazole inter-mediate, the dihedral angles between the least-squares planes of the pyridine and benzimidazole rings are 11.1 (6) and 13.1 (5)°, respectively. The dihedral angles between the mean plane of the benzene ring in the chloranilic acid dianion and the pryidine and benzimidazole rings of the two lansoprazole inter-mediate groups are 71.8 (1)/80.5 (7) and 74.2 (4)/74.8 (6)°. In addition to ionic bond inter-actions, the lansoprazole inter-mediate and chloranilic ions are connected by strong N-H⋯O hydrogen bonds, which produce a set of extended O-H⋯O-H⋯O-H chains along the b axis in the (011) plane. In addition, weak C-H⋯O, C-H⋯F, N-H⋯Cl and π-π [centroid-centroid distances = 3.5631 (15), 3.8187 (13), 3.7434 (17) and 3.842 (2) Å] inter-molecular inter-actions are observed, which contribute to crystal packing stability.

| S-EPMC2979375 | biostudies-literature

Diethyl trans-2,5-bis-(4-methoxy-benzyl-sulfan-yl)-1,4-dimethyl-3,6-dioxopiperazine-2,5-carboxyl-ate.

Project description:The title compound, C(28)H(34)N(2)O(8)S(2), was synthesized as part of a project to develop synthetic routes to analogues of sporidesmins, a class of secondary metabolite produced by the filamentous fungi Chaetomium and Pithomyces sp. The complete molecule is generated by crystallographic inversion symmetry: the methoxy group is essentially coplanar with the benzene ring to which it is bonded, a mean plane fitted through the non-H atoms of the aromatic ring and the meth-oxy group having an r.m.s. deviation of 0.0140?Å. Similarly, the ester group is also essentially planar (r.m.s. deviation of a plane fitted through all non-H atoms is 0.0101?Å). There is only one independent C-H?O inter-action, which links together adjacent mol-ecules into a two-dimensional sheet in the bc plane.

| S-EPMC2969498 | biostudies-literature

catena-Poly[[[tetra-quazinc(II)]-μ-2,5-dihydroxy-benzene-1,4-diacetato-κO:O] dihydrate].

Project description:The title compound, {[Zn(C(10)H(8)O(6))(H(2)O)(4)]·2H(2)O}(n), is a one-dimensional coordination polymer with 2,5-dihydroxy-benzene-1,4-diacetate acting as bridging ligand. The zigzag chains, extending parallel to [011], are further packed into a three-dimensional network by hydrogen bonds.

| S-EPMC2960134 | 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