Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Redetermination of trans-cyclo-hexane-1,4-diammonium dichloride.

ABSTRACT: A redetermination of the crystal structure of the title compound, C(6)H(16)N(2) (2+)·2Cl(-), was undertaken. All atomic coordinates including those of the H atoms were refined freely. The cation is located on a centre of symmetry. Important for the crystal structure are wavy hydrogen-bonded layers that are formed by ammonium groups and chloride anions, giving hydrogen-bonded rings.

SUBMITTER: Reiss GJ

PROVIDER: S-EPMC2915284 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Redetermination of trans-cyclo-hexane-1,4-diammonium dichloride.

Reiss Guido J GJ Bajorat Sara S

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

A redetermination of the crystal structure of the title compound, C(6)H(16)N(2) (2+)·2Cl(-), was undertaken. All atomic coordinates including those of the H atoms were refined freely. The cation is located on a centre of symmetry. Important for the crystal structure are wavy hydrogen-bonded layers that are formed by ammonium groups and chloride anions, giving hydrogen-bonded rings. ...[more]

PMID: 21200790

Similar Datasets

trans-Diaqua-bis-(cyclo-hexane-1,2-diamine)-zinc(II) dichloride.

Project description:In the title compound, [Zn(C(6)H(14)N(2))(2)(H(2)O)(2)]Cl(2), the Zn(II) atom resides on a special position with site symmetry 2/m and is octa-hedrally coordinated by four N atoms from two trans 1,2-diamino-cyclo-hexane ligands and two water O atoms. In the crystal, N-H⋯Cl and O-H⋯Cl hydrogen bonds link the mol-ecules into a two-dimensional network parallel to the bc plane.

| S-EPMC3099959 | biostudies-literature

Low-temperature redetermination of trans-cyclo-hexane-1,2-dicarboxylic acid.

Project description:The mol-ecule of the title compound, C(8)H(12)O(4), lies on a twofold rotation axis that passes through the mid-points of two opposite C-C bonds of the ring. Carboxyl groups of adjacent mol-ecules are linked by pairs of hydrogen bonds around a centre of inversion; this inter-action gives rise to a chain that runs along [101].

| S-EPMC2961601 | biostudies-literature

Poly[di-?-cis-cyclo-hexane-1,4-dicarboxyl-ato-?-trans-cyclo-hexane-1,4-dicarboxyl-ato-bis-[dipyrido[3,2-a:2',3'-c]phenazine]trimanganese(II)].

Project description:In the title compound, [Mn(3)(C(8)H(10)O(4))(3)(C(18)H(10)N(4))(2)], one Mn atom and one cyclohexane-1,4-dicarboxylate (chdc) ligand are located on centres of inversion. One of the two independent Mn atoms is seven-coordinate, binding to five carboxyl-ate O atoms from different chdc ligands and two phenanthrene N atoms from a dipyrido[3,2-a:2',3'-c]phenazine (L) ligand, while the second Mn atom is six-coordinate, binding to six carboxyl-ate O atoms from different chdc ligands. The cis-chdc ligands bridge the trinuclear Mn(II) clusters, forming chains, which are further linked into a three-dimensional network.

| S-EPMC2961629 | biostudies-literature

Cyclo-hexane-1,2-diammonium bis-(pyridine-2-carboxyl-ate).

Project description:In the dication of the title salt, C(6)H(16)N(2) (2+)·2C(6)H(4)NO(2) (-), the two ammonium groups are in the equatorial positions of the chair-shaped cyclo-hexyl ring. In the crystal, the cations and anions are linked by N-H?O and N-H?N hydrogen bonds, forming a layer network parallel to the ac plane. Weak ?-? inter-actions between adjacent pyridine rings with a centroid-centroid distance of 3.589?(2)?Å are also present.

| S-EPMC2970198 | biostudies-literature

cis-Cyclo-hexane-1,4-dicarboxylic acid.

Project description:In the title compound, C(8)H(12)O(4), the two carboxyl groups are on the same side of the cyclohexane ring and the ring adopts a chair conformation. Adjacent mol-ecules related by an inversion centre are linked by pairs of O-H?O hydrogen bonds, forming a zigzag chain along [1].

| S-EPMC2969648 | biostudies-literature

4,4'-(Cyclo-hexane-1,1-di-yl)dianilinium dichloride monohydrate.

Project description:In the title compound, C(18)H(24)N(2) (2+)·2Cl(-)·H(2)O, both the cation and the water mol-ecule lie on a twofold crystallographic axis. In the cation, the two benzene rings are perpendicular to each other, making a symmetry-constrained dihedral angle of 90°. In the crystal, N-H⋯Cl, O-H⋯Cl and N-H⋯O hydrogen bonds result in the formation of a three-dimensional network.

| S-EPMC3200667 | biostudies-literature

trans-Cyclo-hexane-1,4-diyl bis-(4-nitro-phen-yl) dicarbonate.

Project description:In the title crystal structure, C(20)H(18)N(2)O(10), there are two independent mol-ecules, both of which lie on crystallographic inversion centres. In one mol-ecule the 4-nitro-phenyl dicarbonate groups are substituted in equatorial (A(eq)) positions of the chair-form cyclo-hexane ring while in the other mol-ecule the substitution is axial (B(ax)). The dihedral angles between the atoms of the symmetry-unique carbonate group (O=CO(2)-) and benzene ring for each mol-ecule are 47.3?(1)° for A(eq) and 11.7?(2)° for B(ax). In B(ax), this facilitates the formation of a weak intra-molecular C-H?O hydrogen bond, while the packing is stabilized by weak inter-molecular C-H?O inter-actions.

| S-EPMC2915335 | biostudies-other

Crystal structure of N,N'-bis-(pyridin-3-ylmeth-yl)cyclo-hexane-1,4-di-ammonium dichloride.

Project description:The title salt, C18H26N42+·2Cl-, was obtained by the protonation of N,N-bis-(pyridin-4-ylmeth-yl)cyclo-hexane-1,4-di-amine with hydro-chloric acid in ethanol. The asymmetric unit consists of one half of an N,N-bis-(pyridin-3-ylmeth-yl)cyclo-hexane-1,4-di-ammonium dication, with a crystallographic inversion centre located at the centre of the cyclo-hexyl ring, and a chloride anion. The central cyclo-hexyl ring in the dication adopts a chair conformation. The two trans-(4-pyridine)-CH2-NH2- moieties at the 1- and 4-positions of the central cyclo-hexyl ring occupy equatorial sites. The terminal pyridine ring is tilted by 53.72 (6)° with respect to the mean plane of the central cyclo-hexyl ring (r.m.s. deviation = 0.2413 Å). In the crystal, N+-H⋯Cl- hydrogen bonds between the dications and the chloride anions, and π-π stacking inter-actions between the pyridine rings of the dications afford a two-dimensional sheet extending parallel to the ab plane. These sheets are further connected through weak C-H⋯Cl- hydrogen bonds, resulting in the formation of a three-dimensional supra-molecular network.

| S-EPMC5137595 | biostudies-literature

Crystal structure of N,N'-bis-(pyridin-4-ylmeth-yl)cyclo-hexane-1,4-di-ammonium dichloride dihydrate.

Project description:Treatment of N,N-bis-(pyridin-4-ylmeth-yl)cyclo-hexane-1,4-di-amine with hydro-chloric acid in ethanol led to the formation of the title salt, C18H26N42+·2Cl-·2H2O, which lies about a crystallographic inversion center at the center of the cyclo-hexyl ring. The asymmetric unit therefore comprises one half of the N,N-bis-(pyridin-4-ylmeth-yl)cyclo-hexane-1,4-di-ammonium dication, a chloride anion, and a solvent water mol-ecule. In the dication, the two trans-(4-pyridine)-CH2-NH2- moieties occupy equatorial sites at the 1- and 4-positions of the central cyclo-hexyl ring, which is in a chair conformation. The terminal pyridine ring is tilted by 27.98 (5)° with respect to the mean plane of the central cyclo-hexyl moiety (r.m.s. deviation = 0.2379 Å). In the crystal, dications, anions, and solvent water mol-ecules are connected via N/C/O-H⋯Cl and N-H⋯O hydrogen bonds together with C-H⋯π inter-actions, forming a three-dimensional network.

| S-EPMC5050774 | biostudies-literature

e,e-trans-Cyclo-hexane-1,4-carb-oxy-lic acid-hexa-methyl-ene-tetra-mine (1/2).

Project description:The asymmetric unit of the title compound, 2C(6)H(12)N(4)·C(8)H(12)O(4), contains one half-mol-ecule of e,e-trans-cyclo-hexane-1,4-dicarb-oxy-lic acid (the complete molecule being generated by inversion symmetry) and one mol-ecule of hexa-methyl-ene-tetra-mine (HMTA), which are connected by O-H⋯N hydrogen bonds. This forms isolated trimers that pack in a herringbone fashion.

| S-EPMC3051586 | 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