Browse
Submit Data
Databases
API
Help

Dataset Information

6 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(adamantan-1-aminium) hydrogen phosphate fumaric acid sesquisolvate.

ABSTRACT: The asymmetric unit of the title compound, 2C(10)H(18)N(+)·HPO(4) (2-)·1.5C(4)H(4)O(4), contains two adamantan-1-aminium cations, one hydrogen phosphate anion, and one and a half mol-ecules of fumaric acid, one of which exhibits crystallographic inversion symmetry. Each HPO(4) (2-) anion is hydrogen bonded, via all of its O atoms, to four NH(3) (+) groups of the adamantan-1-aminium cations, forming chains along [100]. These chains are, in turn, inter-connected via a set of O-H⋯O hydrogen bonds involving the fumaric acid solvent mol-ecules, forming layers parallel to (001). Weak C-H⋯O inter-actions lead to a consolidation of the three-dimensional set-up.

SUBMITTER: Mrad ML

PROVIDER: S-EPMC3414978 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Bis(adamantan-1-aminium) carbonate.

Project description:In the title compound, 2C(10)H(18)N(+)·CO(3) (2-), the adamantan-1-aminium cation forms three N-H?O hydrogen bonds to three carbonate ions, resulting in a layer parallel to (001) with the adamantane groups located on its surface so that adjacent layers form only C-H?H-C contacts. The carbonate anions occupy special positions of 32 symmetry, whereas the adamantan-1-aminium cations occupy special positions of 3 symmetry.

| S-EPMC3344101 | biostudies-other

Adamantan-1-aminium p-toluene-sulfonate.

Project description:There are two unique cations and anions in the asymmetric unit of the title mol-ecular salt, C(10)H(15)NH(3) (+)·C(7)H(7)O(3)S(-). In the crystal, all three hydrogen-bond donors of the protonated amine group make hydrogen-bond inter-actions with sulfonate O-atom acceptors, linking the cations and anions into chains parallel to the a axis. C-H?? inter-actions are also present.

| S-EPMC3052013 | biostudies-literature

Bis[N-(2-hy-droxy-benz-yl)adamantan-1-aminium] fluoride tetra-fluoro-borate monohydrate.

Project description:In the title compound, 2C(17)H(24)NO(+)·BF(4) (-)·F(-)·H(2)O, the asymmetric unit contains two N-(2-hy-droxy-benz-yl)adamantan-1-aminium cations, one BF(4) (-) anion, one F(-) anion and one water mol-ecule. Both amine N atoms are protonated. The hy-droxy O atoms, amino N atoms and water O atom are involved in inter-molecular O-H?O, O-H?F, N-H?O and N-H?F hydrogen bonding.

| S-EPMC3275066 | biostudies-literature

N-(2-Hy-droxy-benz-yl)adamantan-1-aminium bromide.

Project description:There are two independent ion pairs in the asymmetric unit of the title compound, C(17)H(24)NO(+)·Br(-). In the crystal, the ions are linked by inter-molecular N-H?Br and O-H?Br hydrogen bonds.

| S-EPMC3213437 | biostudies-literature

N-(2-Hy-droxy-benz-yl)adamantan-1-aminium chloride.

Project description:The asymmetric unit of the title compound, C(17)H(24)NO(+)·Cl(-), consists of a discrete N-(2-hy-droxy-benz-yl)adamantan-1-aminium cation and a Cl(-) anion. Inter-molecular N-H?Cl and O-H?Cl hydrogen bonds occurring between the organic cation and the Cl(-) anion generate a layered structure.

| S-EPMC3151742 | biostudies-literature

Bis-(2-amino-5-methyl-pyridinium) fumarate-fumaric acid (1/1).

Project description:In the crystal structure of the title compound, C(6)H(9)N(2) (+)·0.5C(4)H(2)O(4) (2-)·0.5C(4)H(6)O(4), the fumarate dianion and fumaric acid mol-ecule are located on inversion centres. The 2-amino-5-methyl-pyrimidinium cation inter-acts with the carboxyl-ate group of the fumarate anion through a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. These motifs are centrosymmetrically paired via N-H?O hydrogen bonds, forming a complementary DDAA array. The carboxyl groups of the fumaric acid mol-ecules and the carboxyl-ate groups of the fumarate anions are hydrogen bonded through O-H?O hydrogen bonds, leading to a supra-molecular chain along [101]. The crystal structure is further stabilized by weak C-H?O hydrogen bonds.

| S-EPMC3007292 | 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

2-Phenyl-1H-imidazol-3-ium hydrogen fumarate-fumaric acid (2/1).

Project description:The asymmetric unit of the title compound, C(9)H(9)N(2) (+)·C(4)H(3)O(4) (-)·0.5C(4)H(4)O(4), consists of one 2-phenyl-imidazolium cation, one hydrogen fumarate anion and half a fumaric acid mol-ecule, which lies on an inversion center. N-H?O and O-H?O hydrogen bonds connect the cations, anions and fumaric acid mol-ecules into sheets parallel to the (102) plane.

| S-EPMC3343985 | biostudies-literature

1,4-Bis(4-pyridylmeth-yl)piperazin-1-ium perchlorate fumaric acid hemisolvate.

Project description:In the title salt, C(16)H(21)N(4) (+)·ClO(4) (-)·0.5C(4)H(4)O(4), fumaric acid mol-ecules, situated across crystallographic inversion centres, are O-H?N hydrogen bonded to two protonated 1,4-bis-(4-pyridylmeth-yl)piperazine cations, forming trimolecular units. These construct one-dimensional supra-molecular ribbons by N-H?N hydrogen bonding, and further aggregate via ?-? inter-actions [shortest C?C contact = 3.640?(1)?Å] and perchlorate-mediated C-H?O inter-actions.

| S-EPMC2977376 | biostudies-literature

N-(2-Hy-droxy-benz-yl)adamantan-1-aminium 4-methyl-benzene-sulfonate.

Project description:In the crystal structure of the title salt, C(17)H(24)NO(+)·C(7)H(7)O(3)S(-), the N-(2-hy-droxy-benz-yl)adamantan-1-aminium cations and 4-methyl-benzene-sulfonate anions are linked by O-H?O and N-H?O hydrogen bonds. C-H?? inter-actions are also observed between the cation and the anion.

| S-EPMC3239026 | 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