Browse
Submit Data
Databases
API
Help

Dataset Information

8 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Cyclo-hexa-naminium trichloro-acetate.

ABSTRACT: In the crystal of the title compound, C(6)H(14)N(+)·C(2)Cl(3)O(2) (-), centrosymmetric assemblies of two cyclo-hexa-naminium cations and two trichloro-acetate ions are linked by N-H?O hydrogen bonds, thereby forming R(4) (4)(12) ring motifs. Further N-H?O inter-actions link the tetra-mers into chains propagating along the a axis.

SUBMITTER: Shahwar D

PROVIDER: S-EPMC2969657 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Cyclo-hexa-naminium trichloro-acetate.

Shahwar Durre D Tahir M Nawaz MN Ahmad Naeem N Khan Muhammad Akmal MA Saeed Afifa A

Acta crystallographica. Section E, Structure reports online 20090520 Pt 6

In the crystal of the title compound, C(6)H(14)N(+)·C(2)Cl(3)O(2) (-), centrosymmetric assemblies of two cyclo-hexa-naminium cations and two trichloro-acetate ions are linked by N-H⋯O hydrogen bonds, thereby forming R(4) (4)(12) ring motifs. Further N-H⋯O inter-actions link the tetra-mers into chains propagating along the a axis. ...[more]

PMID: 21583170

Similar Datasets

4-(4-Nitro-benzene-sulfonamido)pyridinium trichloro-acetate.

Project description:In the crystal structure of the title compound, C(11)H(10)N(3)O(4)S·C(2)Cl(3)O(2), the dihedral angle between the two six-membered rings is 69.2?(1)°. The mol-ecules are connected via inter-molecular N-H?O hydrogen bonding.

| S-EPMC2960198 | biostudies-literature

Tris(1,10-phenanthroline)cobalt(II) bis-(trichloro-acetate).

Project description:In the title complex, [Co(C(12)H(8)N(2))(3)](C(2)Cl(3)O(2))(2), the Co(II) ion lies on a twofold rotation axis and is coordinated by six N atoms from three bis-chelating 1,10-phenanthroline ligands in a distorted octa-hedral environment. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3152094 | biostudies-literature

Aluminium cyclo-hexa-phosphate.

Project description:Single crystals of the title compound, Al(2)P(6)O(18), were obtained by solid-state reaction. The monoclinic structure is isotypic with its Cr(III), Ga(III) and Ru(III) analogues and is built up of six-membered phosphate ring anions, P(6)O(18) (6-), isolated from each other and further linked by isolated AlO(6) octa-hedra by sharing corners. Each AlO(6) octa-hedron is linked to four P(6)O(18) (6-) rings. More accurately, two rings are linked through bidentate diphosphate groups attached in the cis-positions to the AlO(6) octa-hedron. The other two rings are linked to the two remaining corners, also in cis-positions of the AlO(6) octa-hedron.

| S-EPMC2983707 | biostudies-literature

4-Hydr-oxy-2,2,6,6-tetra-methyl-piperidinium trichloro-acetate.

Project description:In the crystal structure of the title compound, C(9)H(20)NO(+)·Cl(3)CCOO(-), the cations and anions are connected via O-H?O, N-H?O, O-H?Cl and N-H?Cl hydrogen bonding. The six-membered ring adopts a chair conformation with the hydroxyl group in an equatorial position.

| S-EPMC2960749 | biostudies-literature

N-Phenyl-cyclo-hexa-necarboxamide.

Project description:In the title compound, C(13)H(17)NO, the cyclo-hexane ring adopts a chair conformation and the amide C(=O)-N moiety is almost coplanar with the phenyl ring [C-N-C-O = 4.1?(2)°]. In the crystal, mol-ecules are linked to form a C(4) infinite [001] chain via N-H?O hydrogen bonds, unlike the cyclic motif seen in related structures.

| S-EPMC3009346 | biostudies-literature

Diaqua-?(3)-oxido-hexa-kis(?(2)-trichloro-acetato-?O:O')(trichloro-acetato-?O)trichromium(III) acetonitrile tris-olvate.

Project description:In the crystal structure of the title compound, [Cr(3)(C(2)Cl(3)O(2))(7)O(H(2)O)(2)]·3CH(3)CN, the trinuclear [Cr(3)O(H(2)O)(2)(Cl(3)CCO(2))(7)] mol-ecule has an oxide O atom that is connected to one monodentate trichloro-acetate-coordinated and two water-coordinated Cr(III) atoms, the three metal atoms forming the points of an equilateral triangle. Each of the six remaining carboxyl-ate groups bridges a Cr-O-Cr fragment. The cluster inter-acts with the three solvent mol-ecules through water-acetonitrile O-H?N hydrogen bonds. Adjacent clusters are linked by a water-carboxylate O-H?O hydrogen bond to give a helical chain. One of the CCl(3) groups was found to be disordered over two positions, with the major component having a site-occupancy factor of 0.64?(1).

| S-EPMC2960559 | biostudies-literature

(2RS,3SR,10SR,11RS)-3,10-Diphen-oxy-18,21-dioxa-5,8-diaza-penta-cyclo-[20.4.0.0.0.0]hexa-cosa-1(26),12,14,16,22,24-hexa-ene-4,9-dione ethyl acetate hemisolvate.

Project description:In the title compound, C(34)H(30)N(2)O(6)·0.5C(4)H(8)O(2), there are two mol-ecules in the asymmetric unit and the structure is stabilized by C-H?O inter-actions. The two nonsolvent mol-ecules of the asymmetric unit are linked together by a weak C-H?O hydrogen bond. The ethyl acetate mol-ecule is present as a space filler and does not participate in the hydrogen-bonding network.

| S-EPMC3213633 | biostudies-literature

cis-2,6-Dibenzyl-cyclo-hexa-none.

Project description:In the title compound, C(20)H(22)O, the mol-ecule is a meso isomer with the two benzyl groups cis to each other. The central cyclo-hexa-none ring adopts a chair conformation. The mol-ecule lies on a noncrystallographic mirror plane and the dihedral angles of the benzyl groups with respect to the ketone moiety are 88.06?(6) and 89.07?(6)°.

| S-EPMC2968598 | biostudies-literature

1-Cyano-N-(2,4,5-trichloro-phen-yl)cyclo-propane-1-carboxamide.

Project description:In the title compound, C(11)H(7)Cl(3)N(3)O, the dihedral angle between the benzene and cyclo-propane rings is 85.8?(2)°. In the crystal, mol-ecules are linked by C-H?O inter-actions, generating C(5) chains propagating in the a-axis direction.

| S-EPMC3212327 | biostudies-literature

Pallidol hexa-acetate ethyl acetate monosolvate.

Project description:The entire mol-ecule of pallidol hexa-acetate {systematic name: (±)-(4bR,5R,9bR,10R)-5,10-bis-[4-(acet-yloxy)phen-yl]-4b,5,9b,10-tetra-hydro-indeno-[2,1-a]indene-1,3,6,8-tetrayl tetra-acetate} is completed by the application of twofold rotational symmetry in the title ethyl acetate solvate, C40H34O12·C4H8O2. The ethyl acetate mol-ecule was highly disordered and was treated with the SQUEEZE routine [Spek (2009 ?). Acta Cryst. D65, 148-155]; the crystallographic data take into account the presence of the solvent. In pallidol hexa-acetate, the dihedral angle between the fused five-membered rings (r.m.s. deviation = 0.100?Å) is 54.73?(6)°, indicating a significant fold in the mol-ecule. Significant twists between residues are also evident as seen in the dihedral angle of 80.70?(5)° between the five-membered ring and the pendent benzene ring to which it is attached. Similarly, the acetate residues are twisted with respect to the benzene ring to which they are attached [C-O(carb-oxy)-C-C torsion angles = -70.24?(14), -114.43?(10) and -72.54?(13)°]. In the crystal, a three-dimensional architecture is sustained by C-H?O inter-actions which encompass channels in which the disordered ethyl acetate mol-ecules reside.

| S-EPMC3770417 | biostudies-other

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