Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(guanidinium) chloranilate.

ABSTRACT: The asymmetric unit of the title co-crystal, 2CH(6)N(3) (+)·C(6)Cl(2)O(4) (2-), contains one half of a chloranilate anion and one guanidinium cation, which are connected by strong N-H?O hydrogen bonds into a two-dimensional network.

SUBMITTER: Udachin KA

PROVIDER: S-EPMC3201558 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis(guanidinium) chloranilate.

Udachin Konstantin A KA Zaman Md Badruz MB Ripmeester John A JA

Acta crystallographica. Section E, Structure reports online 20110914 Pt 10

The asymmetric unit of the title co-crystal, 2CH(6)N(3) (+)·C(6)Cl(2)O(4) (2-), contains one half of a chloranilate anion and one guanidinium cation, which are connected by strong N-H⋯O hydrogen bonds into a two-dimensional network. ...[more]

PMID: 22058767

Similar Datasets

Bis(2-methyl-imidazolium) chloranilate.

Project description:The asymmetric unit of the title structure, 2C(4)H(7)N(2) (+)·C(6)Cl(2)O(4) (2-), consists of one 2-methyl-imidazolium cation and one-half of a chloranilate anion, the formula unit being generated by crystallographic inversion symmetry. N-H?O hydrogen bonds link the ions into a two-dimensional framework parallel to the (102) plane. No ?-? stacking or C-H?? inter-actions are observed in the crystal structure.

| S-EPMC2914992 | biostudies-literature

Bis(tri-ethyl-ammonium) chloranilate.

Project description:IN THE CRYSTAL STRUCTURE OF THE TITLE COMPOUND [SYSTEMATIC NAME: bis-(tri-ethyl-ammonium) 2,5-di-chloro-3,6-dioxo-cyclo-hexa-1,4-diene-1,4-diolate], 2C6H16N(+)·C6Cl2O4 (2-), the chloranilate anion lies on an inversion center. The tri-ethyl-ammonium cations are linked on both sides of the anion via bifurcated N-H?(O,O) and weak C-H?O hydrogen bonds to give a centrosymmetric 2:1 aggregate. The 2:1 aggregates are further linked by C-H?O hydrogen bonds into a zigzag chain running along [01-1].

| S-EPMC3884448 | biostudies-literature

Bis(guanidinium) tetra-iodidomercurate(II).

Project description:The Hg atom in the crystal structure of the title compound, (CH(6)N(3))(2)[HgI(4)], is tetra-hedrally coordinated by four I atoms. The [HgI(4)](2-) ions are inter-connected to the [C(NH(2))(3)](+) ions by N-H?I hydrogen bonds, forming a three-dimensional network. The four different observed Hg-I distances [2.760?(2), 2.7762?(15), 2.8098?(14) and 2.833?(2)?Å] are consistent with four different (127)I NQR frequencies observed, showing the existence of four unique I atoms in the tetra-iodidomercurate unit.

| S-EPMC2977565 | biostudies-literature

Bis(guanidinium) 4,5-dichloro-phthalate monohydrate.

Project description:In the structure of the title hydrated salt, 2CH(6)N(3) (+)·C(8)H(2)Cl(2)O(4) (2-)·H(2)O, the planes of the carboxyl-ate groups of the dianion are rotated out of the plane of the benzene ring [dihedral angles = 48.42?(10) and 55.64?(9)°]. A duplex-sheet structure is formed through guanidinium-carboxyl-ate N-H?O, guanidinium-water N-H?O and water-carboxyl-ate O-H?O hydrogen-bonding associations.

| S-EPMC3152114 | biostudies-literature

Bis(guanidinium) cyananilate.

Project description:The asymmetric unit of the title compound, 2CH(6)N(3) (+)·C(8)N(2)O(4) (2-), contains one half of a centrosymmetric 2,5-di-cyano-3,6-dioxocyclo-hexa-1,4-diene-1,4-diolate (cyananil-ate) anion and one guanidinium cation, which are connected by N-H?O and N-H?N hydrogen bonds into a three-dimensional network.

| S-EPMC3200825 | biostudies-other

Bis(guanidinium) trans-diaqua-bis(malonato-?O,O')cobaltate(II).

Project description:In the title compound, (CH(6)N(3))(2)[Co(C(3)H(2)O(4))(2)(H(2)O)(2)], the anions lie on crystallographic centres of inversion. The crystal structure adopts a layered structure, stabilized by an extensive network of N-H?O and O-H?O hydrogen bonds. One H atom of the guanidinium cation does not participate in any strong hydrogen bonds.

| S-EPMC2915119 | biostudies-literature

Bis[1-(isopropyl-ideneamino)guanidinium] bis-(3-nitro-benzoate) monohydrate.

Project description:The asymmetric unit of the title salt hydrate, 2C(4)H(11)N(4) (+)·2C(7)H(4)NO(4) (-)·H(2)O, comprises two independent 1-(isopropyl-ideneamino)guanidinium cations, two independent 3-nitro-benzoate anions and a water mol-ecule of crystallization. There are minimal geometric differences between the two planar [maximum deviations 0.061?(2) and 0.088?(2)?Å] cations, and between the two almost planar anions [C-C-C-O and C-C-N-O torsion angles of 0.3?(3) and 11.1?(4) °, respectively in the first anion and -173.7?(2) and -0.1?(4), respectively in the second anion]. Extensive O-H?O and N-H?O hydrogen bonding between all components of the structure leads to the formation of a two-dimensional array with an undulating topology in the bc plane.

| S-EPMC2972075 | biostudies-literature

Bis(4-meth-oxy-3,4-di-hydro-quinazolin-1-ium) chloranilate.

Project description:IN THE TITLE COMPOUND [SYSTEMATIC NAME: bis-(4-meth-oxy-3,4-di-hydro-quinazolin-1-ium) 2,5-di-chloro-3,6-dioxo-cyclo-hexa-1,4-diene-1,4-diolate], 2C9H11N2O(+)·C6Cl2O4 (2-), the chloranil-ate anion lies about an inversion center. The 4-meth-oxy-3,4-di-hydro-quinazolin-1-ium cations are linked on both sides of the anion via bifurcated N-H?(O,O) and weak C-H?O hydrogen bonds, giving a centrosymmetric 2:1 aggregate. The 2:1 aggregates are linked by another N-H?O hydrogen bond into a tape running along [1-10]. The tapes are further linked by a C-H?O hydrogen bond into a layer parallel to the ab plane.

| S-EPMC3884394 | biostudies-literature

Bis(triphenyl-guanidinium) tetra-chlorido-cuprate(II).

Project description:The structure of the title compound, (C(19)H(18)N(3))(2)[CuCl(4)], consists of square-planar [CuCl(4)](2-) anions and triphenyl-guanidinium cations. The Cu(II) ion occupies a crystallographic inversion centre. In the cation, the dihedral angles between the phenyl rings and the plane defined by the central guanidinium fragment are in the range 51.9 (4)-64.4 (3)°. N-H⋯Cl hydrogen bonds assemble the ions into infinite chains running along the b axis.

| S-EPMC2961991 | biostudies-literature

Bis(N,N',N''-triisopropyl-guanidinium) fumarate-fumaric acid (1/1).

Project description:The asymmetric unit of the title compound, C(10)H(24)N(3) (+)·0.5C(4)H(2)O(4) (2-)·0.5C(4)H(4)O(4), comprises a triisopropyl-guanidinium cation, half of a fumarate dianion and half of a fumaric acid mol-ecule; both the fumarate dianion and the fumaric acid mol-ecule are located on inversion centres. In the crystal, inter-molecular O-H?O hydrogen bonds between the carboxyl groups of the fumaric acid mol-ecules and the carboxyl-ate groups of the fumarate anions lead to the formation of a hydrogen-bonded supra-molecular twisted chain along the b axis. The triisopropyl-guanidinium cations inter-act with the fumarate-fumaric acid chains via extensive N-H?O and C-H?O hydrogen bonds, leading to a ladder arrangement, with the cation being the rungs that bridge three curled chains of fumarate-fumaric acid. The crystal packing is stabilized by N-H?O and C-H?O (cation?fumarate/fumaric) and O-H?O (fumarate?fumaric) hydrogen bonds, consolidating a three-dimensional network.

| S-EPMC3379463 | 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