Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tetra-n-propyl-ammonium acetate-boric acid (1/1).

ABSTRACT: In the crystal structure of the ammonium carboxyl-ate-boric acid cocrystal, (C(3)H(7))(4)N(+)·CH(3)CO(2) (-)·H(3)BO(3), the boric acid forms two O-H?O hydrogen bonds to the acetate anion. The acetate-boric acid species is hydrogen bonded to another acetate-boric acid species through the third OH unit of the boric acid about a twofold rotation axis.

SUBMITTER: Yang YX

PROVIDER: S-EPMC2971276 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Tetra-n-propyl-ammonium acetate-boric acid (1/1).

Yang Yun-Xia YX Li Qi Q Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20091031 Pt 11

In the crystal structure of the ammonium carboxyl-ate-boric acid cocrystal, (C(3)H(7))(4)N(+)·CH(3)CO(2) (-)·H(3)BO(3), the boric acid forms two O-H⋯O hydrogen bonds to the acetate anion. The acetate-boric acid species is hydrogen bonded to another acetate-boric acid species through the third OH unit of the boric acid about a twofold rotation axis. ...[more]

PMID: 21578529

Similar Datasets

Tetra-n-propyl-ammonium chloride monohydrate.

Project description:The crystal structure of the title salt hydrate, C(12)H(28)N(+)·Cl(-)·H(2)O, consists of non-inter-acting cations and anions. The water mol-ecule forms hydrogen bonds to two chloride ions, about a center of inversion, generating a planar eight-membered {?H-O-H?Cl}(2) ring.

| S-EPMC2969089 | biostudies-other

A second polymorph of bis-(triphenyl-?(5)-phosphanyl-idene)ammonium chloride-boric acid adduct.

Project description:The title crystal structure is a new triclinic polymorph of [(Ph3P)2N]Cl·(B(OH)3) or C36H30NP2 (+)·Cl(-)·BH3O3. The crystal structure of the ortho-rhom-bic polymorph was reported by [Andrews et al. (1983 ?). Acta Cryst. C39, 880-882]. In the crystal, the [(Ph3P)2N](+) cations have no significant contacts to the chloride ions nor to the boric acid mol-ecules. This is indicated by the P-N-P angle of 137.28?(8)°, which is in the expected range for a free [(Ph3P)2N](+) cation. The boric acid mol-ecules form inversion dimers via pairs of O-H?O hydrogen bonds, and each boric acid mol-ecule forms two additional O-H?Cl hydrogen bonds to one chloride anion. These entities fill channels, created by the [(Ph3P)2N](+) cations, along the c-axis direction.

| S-EPMC3884452 | biostudies-literature

Bis(tetra-propyl-ammonium) di-?(3)-iodido-di-?(2)-iodido-diiodidodi-pyridine-tetra-copper(I).

Project description:The title compound, (C(12)H(28)N)(2)[Cu(3.194)I(6)(C(5)H(5)N)(2)] was prepared from reaction of copper powder, copper(I) oxide, hydro-iodic acid, tetra-propyl-ammonium iodide and pyridine under hydro-thermal conditions. In the centrosymmetric Cu(4)I(6) (2-) anion, one Cu site is in a trigonal-planar coordination while the second Cu site, which is only partially occupied [site occupancy of 0.5968?(16)], is surroundedby three iodine atoms and one pyridine molecule in a distorted tetrahedral coordination.

| S-EPMC2983839 | biostudies-other

Adamantane-1-ammonium acetate.

Project description:In the title compound, C(10)H(18)N(+)·C(2)H(3)O(2) (-), the ammonium H atoms of the cation are linked to three acetate anions via N-H?O hydrogen bonds, forming a chain structure extending along the b axis.

| S-EPMC3120365 | biostudies-literature

Hexa-kis-(propyl-ammonium) benzene-1,2,4,5-tetra-carboxyl-ate 2,5-dicarb-oxy-benzene-1,4-carboxyl-ate tetra-hydrate.

Project description:The title organic salt, 6C(3)H(10)N(+)·C(10)H(2)O(8) (4-)·C(10)H(4)O(8) (2-)·4H(2)O, contains seven independent entities in the asymmetric unit which comprises three propyl-ammonium cations, two water mol-ecules, half a 2,5-dicarb-oxy-benzene-1,4-carboxyl-ate dianion (H(2)btc(2-)) and half a benzene-1,2,4,5-tetra-carboxyl-ate tetra-anion (btc(4-)), the latter two anions being located about centres of inversion. One of the water mol-ecules is disordered over two positions in a 0.55?(2):0.45?(2) ratio. The combination of mol-ecular ions and water mol-ecules results in an extensive and complex three-dimensional network of hydrogen bonds, the network being made up of nine unique N-H?O inter-actions between the ammonium cations and the anions, as well as four unique O-H?O inter-actions between the water mol-ecules and the anions.

| S-EPMC3435833 | biostudies-other

Tetra-butyl-ammonium hydrogen phenyl-arsonate-phenyl-arsonic acid (1/1).

Project description:The structure of the title salt adduct, (C(4)H(9))(4)N(+)·C(6)H(5)AsO(3)H(-)·C(6)H(5)AsO(3)H(2), features chains along the a axis comprising alternating hydrogen phenyl-arsonate anions and phenyl-arsonic acid mol-ecules linked by O-H?O hydrogen bonds.

| S-EPMC3435622 | biostudies-literature

3-Bromo-propyl 2-(2-chloro-phen-yl)-2-(4,5,6,7-tetra-hydro-thieno[3,2-c]pyridin-5-yl)acetate.

Project description:In the crystal structure of the title compound, C(18)H(19)BrClNO(2)S, weak C-H?O inter-actions help to establish the packing.

| S-EPMC3050151 | biostudies-literature

Propyl 2-(3-benzoyl-thio-ureido)acetate.

Project description:The title compound, C(13)H(16)N(2)O(3)S, is a thio-urea derivative with benzoyl and propoxycarbonyl-methyl groups attached to the two terminal N atoms. These groups adopt trans and cis configurations, respectively, with respect to the S atom across the thio-urea C-N bonds. The compound crystallizes in the P2(1)/c space group with Z = 8, resulting in two unique molecules in the asymmetric unit linked by C-H?S and C-H?O hydrogen bonds, forming a one-dimensional zigzag chain along the c axis.

| S-EPMC2959494 | biostudies-literature

Tetra-kis(di-propyl-ammonium) tetra-kis(oxa-lato-?(2) O (1),O (2))stannate(IV) mono-hydrate: a complex with an eight-coordinate Sn(IV) atom.

Project description:In the title salt, [(CH3CH2CH2)2NH2]4[Sn(C2O4)4]·H2O, the Sn(IV) atom of the stannate anion is located on a special position with -42m symmetry. It is eight-coordinated by four chelating oxalate anions. The di-propyl-ammonium cation possesses mirror symmetry while the lattice water mol-ecule is disordered about a position with -42m symmetry and has an occupancy of 0.25. In the crystal, the anions and cations are linked by N-H?O hydrogen bonds, forming a three-dimensional network. This network is futher stabilized by weak O-H?O hydrogen bonds involving the water mol-ecules and oxalate O atoms. The crystal studied was refined as an inversion twin.

| S-EPMC3998257 | biostudies-literature

Tetra-ammonium diaqua-diperoxidoocta-molybdate(VI) tetra-hydrate.

Project description:The title compound (NH(4))(4)[Mo(8)O(24)(O(2))(2)(H(2)O)(2)]·4H(2)O, consists of an octa-molybdate cluster with a crystallographic centre of symmetry. The clusters pack in a cubic close packing arrangement defining channels containing water mol-ecules and ammonium cations, which exhibit hydrogen bonding with neighbouring clusters. Hydrogen bonding also exists between the coordinated water mol-ecules of one cluster with one of the O atoms of the peroxido fragment in a neighbouring cluster.

| S-EPMC2969302 | 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