Browse
Submit Data
Databases
API
Help

Dataset Information

29 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Dicyclo-hexyl-ammonium 2-methoxy-benzoate.

ABSTRACT: The asymmetric unit of the title compound, C(12)H(24)N(+)·C(8)H(7)O(3) (-), contains one dicyclo-hexyl-ammonium cation and one 2-methoxy-benzoate anion. Two cations and two anions are linked together to form a four-ion cluster through a set of N-H?O hydrogen bonds. Weak C-H?O hydrogen bonds connect the clusters into chains that are stacked along the crystallographic c axis.

SUBMITTER: Judas N

PROVIDER: S-EPMC2961178 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Dicyclo-hexyl-ammonium 2-methoxy-benzoate.

Judaš Nenad N Portada Tomislav T

Acta crystallographica. Section E, Structure reports online 20080402 Pt 5

The asymmetric unit of the title compound, C(12)H(24)N(+)·C(8)H(7)O(3) (-), contains one dicyclo-hexyl-ammonium cation and one 2-methoxy-benzoate anion. Two cations and two anions are linked together to form a four-ion cluster through a set of N-H⋯O hydrogen bonds. Weak C-H⋯O hydrogen bonds connect the clusters into chains that are stacked along the crystallographic c axis. ...[more]

PMID: 21202268

Similar Datasets

Dicyclo-hexyl-ammonium 3,5-dinitro-benzoate.

Project description:The asymmetric unit of the title salt, C(12)H(24)N(+)·C(7)H(3)N(2)O(6) (-), contains two cations and two anions. In the crystal, the cations and anions are connected by N-H⋯O hydrogen bonds, forming a 12-membered ring with an R(4) (4)(12) graph-set motif. The center of this 12-membered ring coincides with an inversion centre. π-π stacking is observed between parallel benzene rings [centroid-centriod distance = 3.771 (2) Å].

| S-EPMC3393974 | biostudies-literature

Dicyclo-hexyl-ammonium bromide.

Project description:In the title compound, C(12)H(24)N(+)·Br(-), both cyclo-hexane rings adopt the usual chair conformation. The cation and anion are linked by N-H⋯Br hydrogen bonds into a linear chain running along the c axis.

| S-EPMC2962233 | biostudies-literature

Dicyclo-hexyl-ammonium thio-cyanate.

Project description:In the crystal structure of the title compound, C(12)H(24)N(+)·NCS(-), the anions and cations are linked through N-H⋯N and N-H⋯S hydrogen bonds, resulting in a chain along the a axis.

| S-EPMC2960191 | biostudies-literature

Dicyclo-hexyl-ammonium thio-cyanate: monoclinic polymorph.

Project description:The title salt, C(12)H(24)N(+)·NCS(-), represents a monoclinic polymorph of the previously reported ortho-rhom-bic form [Khawar Rauf et al. (2008 ?). Acta Cryst. E64, o366]. Two independent formula units comprise the asymmetric unit with the major difference in their mol-ecular structures relating to the relative dispositions of the cyclo-hexyl rings [dihedral angles = 79.88?(6) and 67.72?(5)°]. Further, the independent anions form distinctive patterns of hydrogen-bonding inter-actions, i.e. 2 × N-H?N versus N-H?N and N-H?S. The resulting supra-molecular architecture is a supra-molecular chain along the c axis based on a square-wave topology.

| S-EPMC3247581 | biostudies-literature

Dicyclo-hexyl-ammonium hydrogen phenyl-phospho-nate.

Project description:In the title salt, [(C(6)H(11))(2)NH(2)](+)·[C(6)H(5)PO(2)(OH)](-), the anion is monodeprotonated and acts as both a hydrogen-bond donor and acceptor. The anions are linked by pairs of O-H⋯O inter-actions, forming inversion dimers with R(2) (2)(8) ring motifs. These dimers are bridged by two dicyclo-hexyl-aminium cations via pairs of N-H⋯O hydrogen bonds, giving R(4) (4)(12) ring motifs, forming chains propagating along [010]. The chains are bridged by C-H⋯O inter-actions, forming a two-dimensional network lying parallel to (101).

| S-EPMC3344552 | biostudies-literature

Dicyclo-hexyl-ammonium bis-(chloro-difluoro-acetato-κO)cyclo-hexyl-diphenyl-stannate(IV).

Project description:In the title mixed-organyl stannate, (C(12)H(24)N)[Sn(C(6)H(5))(2)(C(6)H(11))(CClF(2)O(2))(2)], there are two cations and two anions in the asymmetric unit. Each five-coordinate Sn atom shows trans-C(3)SnO(2) trigonal bipyramidal coordination. The four Sn-O distances are approximately equal in the two independent anions. Each ammonium cation serves as a hydrogen-bond donor to two stannates, the hydrogen-bonding inter-actions giving rise to linear hydrogen-bonded chains.

| S-EPMC2961113 | biostudies-literature

Cyclo-hexyl-ammonium 4-meth-oxy-benzoate.

Project description:In the crystal of the title molecular salt, C(6)H(14)N(+)·C(8)H(7)O(3) (-), strong N-H?O hydrogen bonds are formed between the ammonium H atoms and the carboxyl-ate O atoms. The resulting supra-molecular structure is based on chains running in the [010] direction. The dihedral angle between the -CO(2) group and the benzene ring is 8.94?(17)° and the methoxy C atom deviates by 1.374?Å from the ring.

| S-EPMC3213617 | biostudies-literature

Dicyclo-hexyl-ammonium (S)-2-azido-3-phenyl-propano-ate.

Project description:The asymmetric unit of the title compound, C(12)H(24)N(+)·C(9)H(8)N(3)O(2) (-), consists of two dicyclo-hexyl-ammonium cations linked to two (S)-2-azido-3-phenyl-propano-ate anions by four short N-H?O hydrogen bonds with N?O distances in the range 2.712?(3)-2.765?(3)?Å. The dicyclo-hexyl-ammonium cations and the aryl and carboxyl-ate groups of the anion are related by a pseudo-inversion centre, with overall crystallographic inversion symmetry for the structure broken by the chirality of the ?-C atoms of the anions.

| S-EPMC3393318 | biostudies-literature

Dicyclo-hexyl-ammonium trimethyl-bis-(hydrogen phenyl-phospho-nato)stannate(IV).

Project description:In the title compound, (C(12)H(24)N)[Sn(CH(3))(3)(C(6)H(6)O(3)P)(2)], the SnMe(3) residues are axially coordinated by two monodentate [PhPO(3)H](-) anions, leading to a trigonal-bipyramidal geometry for the Sn(IV) atom. The two [SnMe(3)(PhPO(3)H)(2)](-) anions in the unit cell are associated into infinite chains along the a axis by O-H?O hydrogen bonds involving the hy-droxy group of the hydrogen phenyl-phospho-nate ion. The chains inter-act with one another via O-H?O hydrogen bonds along the c axis. These networks of anions assemble with the dicyclo-hexyl-ammonium ion through N-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3238759 | biostudies-literature

Dicyclo-hexyl-ammonium 3-[(hy-droxy-meth-yl)carbamo-yl]propano-ate.

Project description:The title compound, C(12)H(24)N(+)·C(5)H(8)NO(4) (-), contains one dicyclo-hexyl-ammonium cation and one 3-[(hy-droxy-meth-yl)carbamo-yl]propano-ate anion in the asymmetric unit. In the crystal, the ions are linked by inter-molecular N-H?O and O-H?O hydrogen bonds, forming chains propagating along [100].

| S-EPMC3011642 | 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