Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-[(2'-Cyano-biphen-yl-4-yl)meth-yl]morpholin-4-ium tetra-fluoridoborate.

ABSTRACT: In the crystal structure of the title compound, C(18)H(19)N(2)O(+)·BF(4) (-), bifurcated N-H?(F,F) hydrogen bonds link the protonated 4'-morpholine-methyl-biphenyl-2-carbonitrile cations and slightly distorted tetra-fluoro-borate anions. ?-? inter-actions [centroid-centroid distance = 3.805?(3)?Å] help to consolidate the packing. The dihedral angle between the benzene rings in the cation is 57.24?(11)°.

SUBMITTER: Li XJ

PROVIDER: S-EPMC3089242 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-[(2'-Cyano-biphen-yl-4-yl)meth-yl]morpholin-4-ium tetra-fluoridoborate.

Li Xiu-Juan XJ Huang Xian-Gang XG Li Kang-Jun KJ

Acta crystallographica. Section E, Structure reports online 20110407 Pt 5

In the crystal structure of the title compound, C(18)H(19)N(2)O(+)·BF(4) (-), bifurcated N-H⋯(F,F) hydrogen bonds link the protonated 4'-morpholine-methyl-biphenyl-2-carbonitrile cations and slightly distorted tetra-fluoro-borate anions. π-π inter-actions [centroid-centroid distance = 3.805 (3) Å] help to consolidate the packing. The dihedral angle between the benzene rings in the cation is 57.24 (11)°. ...[more]

PMID: 21754387

Similar Datasets

4-[(2'-Cyano-biphenyl-4-yl)meth-yl]morpholin-4-ium perchlorate.

Project description:In the title salt, C(18)H(19)N(2)O(+)·ClO(4) (-), the morpholinium ring adopts a chair conformation, while the two benzene rings make a dihedral angle of 62.65?(17)°. Inter-molecular N-H?N hydrogen bonds and weak C-H?O inter-actions occur in the crystal structure.

| S-EPMC3344166 | biostudies-literature

4-[(2'-Cyano-biphenyl-4-yl)meth-yl]morpholin-4-ium hexa-fluoridophosphate.

Project description:In the cation of the title compound, C(18)H(19)N(2)O(+)·PF(6) (-), the morpholine ring adopts the usual chair conformation and the dihedral angle between the benzene rings is 67.55 (11)°. The F atoms of the anion are disordered over two orientations with a refined occupancy ratio of 0.65 (2):0.35 (2). In the crystal, inter-molecular N-H⋯N hydrogen bonds link the cations into chains parallel to the c axis. The crystal packing is further enforced by inter-ionic C-H⋯F hydrogen bonds.

| S-EPMC3344511 | biostudies-literature

Tetra-kis{4-[(2H-tetra-zol-5-yl)meth-yl]morpholin-4-ium} dodeca-tungstosilicate hexa-hydrate.

Project description:The crystal structure of the title compound, (C(6)H(12)N(5)O)(4)[W(12)(SiO(4))O(36)]·6H(2)O, consists of an α-Keggin-type [W(12)(SiO(4))O(36)](4-) polyoxidoanion, four [(2H-tetra-zol-5-yl)meth-yl]morpholinium cations and six uncoordinated water mol-ecules. In the cations, the morpholine rings display chair conformations. Extensive N-H⋯O, N-H⋯N, O-H⋯O and O-H⋯N hydrogen bonds are present in the crystal structure.

| S-EPMC3051431 | biostudies-literature

4-[(2'-Cyano-biphenyl-4-yl)methyl]-morpholin-4-ium nitrate.

Project description:The title ion pair, C(18)H(19)N(2)O(+)·NO(3) (-), features an N-H?O hydrogen bond linking the cation to the anion. The morpholine portion adopts a chair conformation; the aromatic rings of the biphenyl-ene portion are twisted [torsion angles for the four atoms involving the ar-yl-aryl bond = 35.1?(2)-40.4?(2)°].

| S-EPMC3007199 | biostudies-literature

1,3-Bis(pyridin-2-yl)-1H-benzimidazol-3-ium tetra-fluoridoborate.

Project description:The asymmetric unit of the title compound, C(17)H(13)N(4) (+)·BF(4) (-), contains one half of the benzimidazolium cation and one half of the tetra-fluoridoborate anion, with crystallographic mirror planes bis-ecting the mol-ecules. One F atom of the tetra-fluoridoborate is equally disordered about a crystallographic mirror plane. In the crystal, C-H?F inter-actions link the cations and anions into layers parallel to (100). The crystal packing is further stabilized by F?? contacts involving the tetra-fluoridoborate anions and the five-membered rings [F?centroid = 2.811?(2)?Å].

| S-EPMC3213512 | biostudies-literature

4-(3-Ammonio-prop-yl)morpholin-4-ium tetra-chloridozincate(II).

Project description:In the title compound, (C(7)H(18)N(2)O)[ZnCl(4)], the Zn(II) ion is coordinated by four Cl atoms in a close to tetra-hedral geometry. The crystal packing exhibits C-H?Cl, N-H?Cl and N-H?O hydrogen bonds.

| S-EPMC2968592 | biostudies-literature

Bis(morpholin-4-ium) tetra-chlorido-cobalt(II).

Project description:The title compound, (C(4)H(10)NO)(2)[CoCl(4)], is an ionic compound consisting of two protonated tetra-hydro-1,4-oxazine (morpholine) cations and a [CoCl(4)](2-) dianion. The Co(II) ion is in a tetra-hedral coordination geometry. The cations exhibit chair-shaped conformations. A three-dimensional supra-molecular architecture is formed through N-H?Cl and C-H?Cl hydrogen bonds between the dianions and the cations.

| S-EPMC3254319 | biostudies-literature

2,5-Bis(bromo-meth-yl)biphen-yl.

Project description:In the title compound, C(14)H(12)Br(2), the Br atoms lie on opposite sides of their ring plane. The biphenyl inter-planar angle is 53.52?(8)°. The packing is characterized by several H?Br contacts to each Br atom, but at long distances of 3.07-3.43?Å.

| S-EPMC2969676 | biostudies-literature

{?-N,N,N',N'-Tetra-kis[(diphenyl-phosphan-yl)meth-yl]benzene-1,4-diamine}-bis-[(2,2'-bipyrid-yl)copper(I)] bis-(tetra-fluoridoborate).

Project description:In the title compound, [Cu(2)(C(10)H(8)N(2))(2)(C(58)H(52)N(2)P(4))](BF(4))(2), the dinuclear cation lies on an inversion centre. The Cu(I) atom is coordinated by two N atoms from a 2,2'-bipyridine ligand and two P atoms from an N,N,N',N'-tetra-kis-[(diphenyl-phos-phan-yl)meth-yl]benzene-1,4-diamine ligand in a distorted tetra-hedral geometry. In the crystal, inter-molecular C-H?F hydrogen bonds link the ions into layers parallel to [[Formula: see text]01]. ?-? inter-actions [centroid-centroid distance = 3.668?(4)?Å] are also observed. One F atom of the anion is disordered over two orientations with a refined occupancy ratio of 0.675?(13):0.325?(13).

| S-EPMC3212203 | biostudies-literature

3,3',5,5'-Tetra-nitro-biphen-yl.

Project description:The title compound, C(12)H(6)N(4)O(8), is a biphenyl system that was synthesized as a building block for a new series of anti-malarial compounds. The aromatic rings are oriented at a dihedral angle of 45.5?(2)°, and inter-molecular short O?O contacts form a chain along the b axis. The strength of the inter-actions involved in this chain cause one of the rings to be slightly distorted, with the torsion angle between the nitro groups being 23.4?(2)°, whereas, in the other ring, both nitro systems are parallel, forming an angle of 9.6?(2)° with the plane of the aromatic ring to which they are bound. Furthermore, the three ring C atoms around the ring-ring linkage belong to a plane inclined by 4.5?(1)° in relation to the plane containing the other three C atoms, i.e. (NO(2)-)C-C-C(NO(2)). This distortion of the ring causes uncommonly short intermolecular O?O [3.038?(2)?Å] and O?C [3.000?(4) and 3.214?(1)?Å] contacts.

| S-EPMC2977734 | 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