Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(4-carbamoylpiperidinium) biphenyl-4,4'-disulfonate.

ABSTRACT: In the title isonipecotamide salt 2C(6)H(13)N(2)O(+)·C(12)H(8)O(6)S(2) (2-), the asymmetric unit comprises one biphenyl-4,4'-disulfonate dianion which lies across a crystallographic inversion centre and another in a general position [dihedral angle between the two phenyl rings is 37.1?(1)°], together with three isonipecotamide cations. Two of these cations give a cyclic homomeric amide-amide dimer inter-action [graph set R(2) (2)(8)], the other giving a similar dimeric inter-action but across an inversion centre, both dimers then forming lateral cyclic R(4) (2)(8) pyrimidinium-amide N-H?O inter-actions. These units are linked both laterally and longitudinally to the sulfonate groups of the dianions through piperidinium N-H?O hydrogen bonds, giving a three-dimensional framework structure.

SUBMITTER: Smith G

PROVIDER: S-EPMC3011572 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis(4-carbamoylpiperidinium) biphenyl-4,4'-disulfonate.

Smith Graham G Wermuth Urs D UD Young David J DJ

Acta crystallographica. Section E, Structure reports online 20101113 Pt 12

In the title isonipecotamide salt 2C(6)H(13)N(2)O(+)·C(12)H(8)O(6)S(2) (2-), the asymmetric unit comprises one biphenyl-4,4'-disulfonate dianion which lies across a crystallographic inversion centre and another in a general position [dihedral angle between the two phenyl rings is 37.1 (1)°], together with three isonipecotamide cations. Two of these cations give a cyclic homomeric amide-amide dimer inter-action [graph set R(2) (2)(8)], the other giving a similar dimeric inter-action but across an ...[more]

PMID: 21589457

Similar Datasets

Diammonium biphenyl-4,4'-disulfonate.

Project description:In the title salt, 2NH(4) (+)·C(12)H(8)O(6)S(2) (2-), the dianion has crystallographic inversion symmetry. A three-dimensional framework is formed from primary hydrogen-bonded sheet structures comprising ammonium N-H?O(sulfonate) inter-actions and is linked peripherally through the biphenyl residues of the anions. This open framework has 43?Å(3) solvent-accessible voids.

| S-EPMC2915005 | biostudies-literature

Bis[2-(2,4-dinitro-benz-yl)pyridinium] biphenyl-4,4'-disulfonate trihydrate.

Project description:In the structure of the title salt, 2C(12)H(10)N(3)O(4) (+)·C(12)H(8)O(6)S(2) (2-)·3H(2)O, determined at 173?K, the biphenyl-4,4'-disulfonate dianions lie across crystallographic inversion centres with the sulfonate groups inter-acting head-to-head through centrosymmetric cyclic bis-(water)-bridged hydrogen-bonding associations [graph set R(4) (4)(11)], forming chains. The 2-(2,4-dinitro-benz-yl)pyridinium cations are linked to these chains through pyridinium-water N-H?O hydrogen bonds and a two-dimensional network is formed through water bridges between sulfonate and 2-nitro O atoms, while the structure also has weak cation-anion ?-? aromatic ring inter-actions [minimum ring centroid separation = 3.8441?(13)?Å].

| S-EPMC2979160 | biostudies-literature

trans-Tetra-aqua-bis(nicotinamide-?N)cadmium(II) biphenyl-4,4'-disulfonate.

Project description:In the title compound, [Cd(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(10)H(8)O(6)S(2)), the Cd(II) ion is located on a crystallographic inversion centre. An octa-hedral coordination geometry is defined by four water mol-ecules in one plane, and two trans N-atom donors of the nicotinamide ligands. The biphenyl-4,4'-disulfonate anion also lies on a crystallographic inversion centre. In the crystal structure, the complex cations are connected to the counter-anions via N-H?O and O-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC2960200 | biostudies-other

trans-Tetra-aqua-bis-[1,3-bis-(4-pyrid-yl)propane-κN]cobalt(II) biphenyl-4,4'-disulfonate monohydrate.

Project description:In the title compound, [Co(C(13)H(14)N(2))(2)(H(2)O)(4)](C(12)H(8)O(6)S(2))·H(2)O, the cation, anion and uncoordinated water mol-ecule have crystallographically imposed twofold symmetry. The cobalt(II) atom exhibits a slightly distorted octa-hedral coordination geometry provided by two N atoms from two 1,3-bis-(4-pyrid-yl)propane ligands and the O atoms from four water mol-ecules. The dihedral angle between the pyridine rings in the ligand is 86.14 (11)°, whereas the dihedral angle formed by the symmetry-related benzene rings in the anion is 35.81 (12)°. In the crystal, cations, anions and water mol-ecules are linked into layers parallel to the ac plane by O-H⋯O and O-H⋯N hydrogen-bond inter-actions. The layers are further connected into a three-dimensional network by C-H⋯O hydrogen bonds.

| S-EPMC3089097 | biostudies-literature

Bis(4,4'-methyl-enedianilinium) naphthalene-1,5-disulfonate dihydrate.

Project description:The asymmetric unit of the title salt, C(13)H(16)N(2) (2+)·C(10)H(6)O(6)S(2) (2-)·2H(2)O, consists of one dication located on a general position, half each of two centrosymmetric dianions, and two uncoordinated water mol-ecules in general positions. In the dication, the dihedral angle between the benzene rings is 74.67?(6)°. The cations and anions inter-act through N-H?O hydrogen bonds. The NH(3) (+) functional groups are also involved in N-H?O hydrogen bonds with the water mol-ecules, forming an infinite three-dimensional framework in the crystal structure.

| S-EPMC2961067 | biostudies-literature

Bis(2-hy-droxy-ethanaminium) biphenyl-4,4'-dicarboxyl-ate.

Project description:In the title compound, 2C(2)H(8)NO(+)·C(14)H(8)O(4) (2-), the dihedral angle between the benzene rings of the dianion is 9.95?(12)°. In the crystal, the cations and anions are linked via inter-molecular O-H?O and N-H?O hydrogen bonds, generating layers lying parallel to (001).

| S-EPMC3120332 | biostudies-literature

Bis(?-biphenyl-2,2'-dicarboxyl-ato)bis-[aqua-(4,4'-dimethyl-2,2'-bipyridine-?N,N')copper(II)].

Project description:The mol-ecule of the title binuclear copper(II) complex, [Cu(2)(C(14)H(8)O(4))(2)(C(12)H(12)N(2))(2)(H(2)O)(2)], is bis-ected by a crystallographic twofold axis. Each Cu(II) atom is coordinated in a distorted octa-hedral geometry by three O atoms from two biphen-yl-2,2'-dicarboxyl-ate anions, one aqua O atom and two N atoms of a 4,4'-dimethyl-2,2'-bipyridine ligand. Intramolecular O-H?O hydrogen bonds between the coordinated water molecules and the carboxylate O atoms are also present.

| S-EPMC2971185 | biostudies-literature

catena-Poly[[bis-(acetato-?O,O')cobalt(II)]-?-4,4'-bis-(benzimidazol-1-yl)biphenyl-?N:N].

Project description:In the title one-dimensional coordination polymer, [Co(C(2)H(3)O(2))(2)(C(26)H(18)N(4))](n), the Co(II) atom (site symmetry 2) is coordinated by two O,O'-bidentate acetate ions and two 4,4'-bis-(benzimidazol-1-yl)biphenyl ligands in a distorted cis-CoN(2)O(4) octa-hedral geometry. The bridging ligand, which is completed by crystallographic twofold symmetry, links the Co(II) atoms into [10] chains. Within the ligand, the dihedral angle between the benzene and benzimidazole rings is 48.31?(8)°.

| S-EPMC3011745 | biostudies-literature

N,N'-Bis(4-chloro-benzyl-idene)-3,3'-dimeth-oxy-biphenyl-4,4'-diamine.

Project description:The title compound, C(28)H(22)Cl(2)N(2)O(2), crystallized with two independent mol-ecules (A and B) in the asymmetric unit. The two mol-ecules differ essentially in the orientation of the outer aromatic rings. These dihedral angles are 56.07?(13) and 27.62?(15)?Å for mol-ecules A and B, respectively. In the crystal, A mol-ecules are related as centrosymmetric pairs through a weak ?-? inter-action [centroid-centroid distance = 3.6959?(15)?Å]. There are also a number of inter-molecular C-H?O, C-H?N and C-H?? inter-actions present.

| S-EPMC3120541 | biostudies-literature

Diaqua-bis(2,2'-biimidazole)cobalt(II) 4,4'-dicarboxy-biphenyl-3,3'-di-car-boxylate.

Project description:In the title compound, [Co(C(6)H(6)N(4))(2)(H(2)O)(2)](C(16)H(8)O(8)), the Co(II) cation and the organic anion occupy different crystallographic inversion centres and, as a consequence, the asymmetric unit comprises two half-mol-ecules. The benzene groups are coplanar. The four coordinating N atoms of the two bidentate biimidazole ligands define the equatorial plane of a slightly distorted octa-hedral CoO(2)N(4) geometry, and the water O atoms lie in the axial coordination sites. Translational (a,) and inversion-related symmetry operations link the Co complex mol-ecules and the negatively charged carboxyl-ate anions via inter-molecular N-H?O and O-H?O hydrogen bonds into sheets parallel to (01). The coordinated water mol-ecules connect the sheets through O-H?O hydrogen bonds, forming a three-dimensional framework. In addition, two intra-molecular O-H?O hydrogen bonds are observed between the carboxyl and carboxyl-ate groups.

| S-EPMC2968794 | 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