Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Benzyl-ammonium hexa-noate.

ABSTRACT: A binary mixture of benzyl-amine and hexa-noic acid has been reacted to form the title salt, C(7)H(10)N(+)·C(6)H(11)O(2) (-). This crystal has a 1:1 stoichiometry of acid- and amine-derived species which contrasts with other related species which can have a number of other integer ratios of acid and amine components. The diffraction data indicate complete transfer of a proton from the acid to the amine to give the salt, comprising a cation and anion combination, with the formation of three hydrogen bonds around each ammonium group. This contrasts with other related species.

SUBMITTER: Wood MH

PROVIDER: S-EPMC3470363 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Benzyl-ammonium hexa-noate.

Wood Mary H MH Clarke Stuart M SM

Acta crystallographica. Section E, Structure reports online 20120926 Pt 10

A binary mixture of benzyl-amine and hexa-noic acid has been reacted to form the title salt, C(7)H(10)N(+)·C(6)H(11)O(2) (-). This crystal has a 1:1 stoichiometry of acid- and amine-derived species which contrasts with other related species which can have a number of other integer ratios of acid and amine components. The diffraction data indicate complete transfer of a proton from the acid to the amine to give the salt, comprising a cation and anion combination, with the formation of three hydro ...[more]

PMID: 23125776

Similar Datasets

Benzyl-ammonium hepta-noate.

Project description:The title 1:1 stoichiometric salt, C7H10N(+)·C7H13O2 (-), is formed by proton transfer between hepta-noic acid and benzyl-amine. This combination contrasts to the recently published 2:1 acid-amine adduct of cation, anion and neutral acid molecule from the same components [Wood & Clarke (2013 ?). Acta Cryst. E69, o346-o347]. There are N-H?O hydrogen bonds of moderate strength in the structure [the most important graph-set motifs are R (2) 4(8) and R (4) 4(12)], as well as weak C-H?O inter-actions.

| S-EPMC3648282 | biostudies-literature

Bis(benzyl-triethyl-ammonium) hexa-chloridostannate(IV).

Project description:The reaction between benzyl-triethyl-ammonium chloride and dimethyl-tin dichloride yields the title salt, [(C(6)H(5)CH(2))(C(2)H(5))(3)N](2)[SnCl(6)]. The Sn(IV) atom, located on a center of inversion, exists in an octa-hedral coordination environment. The cation links with the anion via weak C-H?Cl hydrogen bonding.

| S-EPMC2983377 | biostudies-literature

Decyl-ammonium octa-noate.

Project description:The title compound, C(10)H(24)N(+)·C(8)H(15)O(2) (-), forms a layered structure in which inter-molecular N(+)-H⋯O hydrogen bonds connect anions and cations, forming a two-dimensional network parallel to (010). The n-alkyl chains of the decyl-ammonium cations pack according to an ortho-rhom-bic 'subcell' with approximate dimensions 5.1 × 7.3 Å, and they are significantly distorted from planarity.

| S-EPMC3052094 | biostudies-literature

(S)-(-)-1-Phenyl-ethanaminium hexa-noate.

Project description:A binary mixture of (S)-(-)-1-phenyl-ethanamine and hexa-noic acid was allowed to react to form the title salt, C8H12N(+)·C6H11O2(-). This crystal contains a 1:1 stoichiometric mixture of the acid- and amine-derived species and displays a chiral structure with N-H⋯O hydrogen-bonded chains propagating along the c-axis direction.

| S-EPMC3588937 | biostudies-literature

Ethyl 4-acetyl-5-oxo-3-phenyl-hexa-noate.

Project description:The reaction of ethyl 3-bromo-3-phenyl-propano-ate with pentane-2,4-dione, in the presence of palladium(II) acetate and triphenyl-phosphine, in dimethyl-formamide, unexpectedly gave the title product, C(16)H(20)O(4). The mol-ecule contains one chiral C atom but the crystal is racemic. In the crystal, neighboring mol-ecules form a chain along [100] through three weak C-H⋯O inter-actions. Furthermore, a double-stranded structure is formed through weak C-H⋯O inter-actions between two parallel chains.

| S-EPMC3099969 | biostudies-literature

Bis(4-chloro-benzyl-ammonium) tetra-kis(2,6-diethyl-anilinium) cyclo-hexa-phosphate tetra-hydrate.

Project description:In the crystal of the title hydrated mol-ecular salt, 2C(7)H(9)ClN(+)·4C(10)H(16)N(+)·P(6)O(18) (6-)·4H(2)O, the packing consists of a three-dimensional O-H?O and N-H?O hydrogen-bonded network resulting from the association of anionic layers built up from centrosymmetric cyclohexaphosphate ions and water mol-ecules and the two types of organic cations.

| S-EPMC2968505 | biostudies-literature

rac-Methyl 2-(2-formyl-4-nitro-phen-oxy)hexa-noate.

Project description:In the racemic title compound, C(14)H(17)NO(6), the plane of the ester group of the methyl hexa-noate side chain makes a dihedral angle of 80.0?(2)° with the benzene ring, while the nitro group is approximately coplanar with the benzene ring [dihedral angle = 10.3?(2)°]. In the crystal, mol-ecules form weak aromatic C-H?O(nitro) hydrogen-bonding inter-actions, giving inversion dimers [graph set R(2) (2)(8)].

| S-EPMC3344521 | biostudies-literature

Ammonium tris-(tetra-ethyl-ammonium) hexa-cosa-oxidoocta-molybdate.

Project description:The structure of the title compound, NH(4)(C(8)H(20)N)(3)[Mo(8)O(26)], is built up by discrete cations and anions, with two formula units in the asymmetric unit. The ?-octa-molybdate anions are linked to the ammonium cations via N-H?O hydrogen bonding involving terminal oxide groups and to the tetra-ethyl-ammonium cations via weak C-H?O inter-actions.

| S-EPMC2960748 | biostudies-literature

4-Methyl-benzyl-ammonium nitrate.

Project description:In the title salt, C8H12N(+)·NO3 (-), the N atom of the 4-methyl-benzyl-ammonium cation is displaced by 1.366?(2)?Å from the mean plane of the other atoms. In the crystal, the cations are connected to the anions by N-H?O and N-H?(O,O) hydrogen bonds, generating a layered network parallel to (100). A weak C-H?O inter-action also occurs.

| S-EPMC3884420 | biostudies-literature

Bis(diisopropyl-ammonium) hexa-chlorido-stannate(IV).

Project description:The title compound, (C(6)H(16)N)(2)[SnCl(6)], crystallizes with one diisopropyl-ammonium cation lying on a general position and the hexa-chloridostannate(IV) anion about a centre of inversion. The [SnCl(6)](2-) anion undergoes a slight distortion from octa-hedral symmetry as the result of the formation of four unforked charge-supported N-H?Cl hydrogen bonds. The hydrogen bonds between the cations and anions form layers perpendicular to [101]. These layers are built by 24-membered rings which can be classified with an R(8) (8)(24) graph-set descriptor. According to this hydrogen-bonding motif, the title compound is isostructural with (C(6)H(16)N)(2)[IrCl(6)].

| S-EPMC3515144 | 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