Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis[2-(pyrimidin-2-ylamino)pyrimidin-ium] hexa-molybdate.

ABSTRACT: The title compound, (C(8)H(8)N(5))(2)[Mo(6)O(19)], was prepared by reaction of Mo(CO)(6) and dipyrimidylamine in refluxing toluene. The hexa-nuclear polyoxomolybdate anions lie on centres of inversion. Each 2-(pyrimidin-2-ylamino)pyrimidinium cation forms an intra-molecular N-H⋯N hydrogen bond and the cations are linked through self-complementary pairs of N-H⋯N hydrogen bonds into dimers across centres of inversion. The cations and anions are inter-linked through C-H⋯O contacts.

SUBMITTER: Yeh CW

PROVIDER: S-EPMC2914927 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis[2-(pyrimidin-2-ylamino)pyrimidin-ium] hexa-molybdate.

Yeh Chun-Wei CW Lin Chia-Her CH Chen Jhy-Der JD

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

The title compound, (C(8)H(8)N(5))(2)[Mo(6)O(19)], was prepared by reaction of Mo(CO)(6) and dipyrimidylamine in refluxing toluene. The hexa-nuclear polyoxomolybdate anions lie on centres of inversion. Each 2-(pyrimidin-2-ylamino)pyrimidinium cation forms an intra-molecular N-H⋯N hydrogen bond and the cations are linked through self-complementary pairs of N-H⋯N hydrogen bonds into dimers across centres of inversion. The cations and anions are inter-linked through C-H⋯O contacts. ...[more]

PMID: 21200613

Similar Datasets

Bis(2-amino-4-methyl-pyrimidin-1-ium) hexa-aqua-cobalt(II) disulfate dihydrate.

Project description:In the title hydrated mixed-cation salt, (C(5)H(8)N(3))(2)[Co(H(2)O)(6)](SO(4))(2)·2H(2)O, the complete octa-hedral hexa-aqua complex cation is generated by crystallographic inversion symmetry. In the crystal, the components are linked by O-H⋯O and N-H⋯O hydrogen bonds, the latter, involving pyrimidinium cations and sulfate anions, generating R(2) (2)(8) loops. These, together with π-π inter-actions between centrosymmetrically related pyrimidinium cations [centroid-centroid separation = 3.5460 (8) Å], lead to the formation of a three-dimensional network.

| S-EPMC3569216 | biostudies-literature

Bis(2-amino-4-methyl-pyrimidin-3-ium) trans-diaqua-bis-(pyrazine-2,3-di-car-boxylato)cobaltate(II) hexa-hydrate.

Project description:In the crystal structure of the mononuclear title compound, (C(5)H(8)N(3))(2)[Co(C(6)H(2)N(2)O(4))(2)(H(2)O)(2)]·6H(2)O or (ampymH)(2)[Co(pyzdc)(2)(H(2)O)(2)]·6H(2)O (ampym = 2-amino-4-methyl pyrimidine, pyzdcH(2) = pyrazine-2,3-dicarb-oxy-lic acid), the Co(II) ion is hexa-coordinated by two (pyzdc)(2-) groups in the equatorial plane and two water mol-ecules in axial positions, giving an N(2)CoO(4) bound set. The (pyzdc)(2-) anion acts as a bidentate ligand through one carboxyl-ate group O atom and pyrazine ring N atom. There are diverse N-H⋯ O and O-H⋯O and O-H⋯N hydrogen-bonding inter-actions, which lead to the formation of a three-dimensional supra-molecular architecture. Off-set or slipped π-π stacking inter-actions are also observed between adjacent pyrimidine rings with face-to-face distances of 3.6337 (9) Å.

| S-EPMC2983271 | biostudies-literature

Bis(2-amino-pyrimidin-1-ium) sulfate.

Project description:In the title compound, 2C(4)H(6)N(3) (+)·SO(4) (2-), the cations are each essentially planar with r.m.s. deviations of the fitted atoms of 0.008 and 0.002 Å. In the crystal, adjacent ions are linked by N-H⋯O, C-H⋯O and C-H⋯N hydrogen bonds, forming a three-dimensional network.

| S-EPMC3470301 | biostudies-literature

1,3-Bis[(5-amino-furan-2-yl)meth-yl]-3,4,5,6-tetra-hydro-pyrimidin-1-ium hexa-fluoro-phosphate.

Project description:The asymmetric unit of the title salt, C16H21N2O2 (+)·PF6 (-), contains half of the whole ion pair, which has crystallographic mirror symmetry. Two F atoms related by the mirror plane are disordered over two sites of equal occupancy. The dihedral angle between the central ring and the furan ring is 59.3 ()°. In the crystal, the anions and cations are linked through C-H⋯F inter-actions, forming a three-dimensional network.

| S-EPMC3793810 | biostudies-literature

trans-4-(2-Amino-5-bromo-6-methyl-pyrimidin-4-ylamino)-1-methyl-cyclo-hexa-nol.

Project description:The title compound, C(12)H(19)BrN(4)O, represents the minor component of the two products obtained in a series of transformations involving the Grignard reaction of tert-butoxy-carbonyl-protected 4-amino-cyclo-hexa-none with MeMgBr, and subsequent inter-action of the obtained amino-substituted cyclo-hexa-nol with 4-chloro-6-methyl-pyrimidin-2-amine followed by bromination with N-bromo-succinimide. The X-ray structure showed that this product represents a trans isomer with respect to the amino and hydr-oxy substituents in the cyclo-hexyl ring; the dihedral angle between the amino-pyrimidine plane and the (noncrystallographic) mirror plane of the substituted cyclo-hexyl fragment is 33.6 (3)°. Only two of the four potentially 'active' H atoms participate in inter-molecular N-H⋯O and O-H⋯N hydrogen bonds, linking the mol-ecules into layers parallel to the (10) plane.

| S-EPMC2970313 | biostudies-literature

Bis(2,6-diamino-4-chloro-pyrimidin-1-ium) fumarate.

Project description:In the title salt, 2C4H6ClN4(+)·C4H2O4(2-), the complete fumarate dianion is generated by crystallographic inversion symmetry. The cation is essentially planar, with a maximum deviation of 0.018 (1) Å. In the anion, the carboxyl-ate group is twisted slightly away from the attached plane, the dihedral angle between the carboxyl-ate and (E)-but-2-ene planes being 12.78 (13)°. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion via a pair of N-H⋯O hydrogen bonds, forming an R2(2)(8) ring motif. In addition, another type of R2(2)(8) motif is formed by centrosymmetrically related pyrimidinium cations via N-H⋯N hydrogen bonds. These two combined motifs form a heterotetra-mer. The crystal structure is further stabilized by stong N-H⋯O, N-H⋯Cl and weak C-H⋯O hydrogen bonds, resulting a three-dimensional network.

| S-EPMC3588928 | biostudies-literature

Bis(2,4,6-tri-amino-pyrimidin-1-ium) sulfate penta-hydrate.

Project description:The asymmetric unit of the title salt, 2C4H8N5 (+)·SO4 (2-)·5H2O, contains four 2,4,6-tri-amino-pyrimidinium (TAPH(+)) cations, two sulfate anions and ten lattice water mol-ecules. Each two of the four TAPH(+) cations form dimers via N-H⋯N hydrogen bonds between the amino groups and the unprotonated pyrimidine N atoms [graph-set motif R 2 (2)(8)]. The (TAPH(+))2 dimers, in turn, form slightly offset infinite π-π stacks parallel to [010], with centroid-centroid distances between pyrimidine rings of 3.5128 (15) and 3.6288 (16) Å. Other amino H atoms, as well as the pyrimidinium N-H groups, are hydrogen-bonded to sulfate and lattice water O atoms. The SO4 (2-) anions and water mol-ecules are inter-connected with each other via O-H⋯O hydrogen bonds. The combination of hydrogen-bonding inter-actions and π-π stacking leads to the formation of a three-dimensional network with alternating columns of TAPH(+) cations and channels filled with sulfate anions and water mol-ecules. One of the sulfate anions shows a minor disorder by a ca 37° rotation around one of the S-O bonds [occupancy ratio of the two sets of sites 0.927 (3):0.073 (3)]. One water mol-ecule is disordered over two mutually exclusive positions with an occupancy ratio of 0.64 (7):0.36 (7).

| S-EPMC3793762 | biostudies-literature

Tris-[3,3'-(p-phenyl-enedimethyl-ene)diimidazol-1-ium] bis(phosphatododeca-molybdate).

Project description:In the title compound, (C(14)H(16)N(4))(3)[PMo(12)O(40)](2), the asymmetric unit contains one [PMo(12)O(40)](3-) anion and one and a half 3,3'-(p-phenyl-enedimethyl-ene)diimidazol-1-ium cations. Each cation links two [PMo(12)O(40)](3-) anions, which link three cations through N-H⋯O hydrogen bonds, generating an infinite supra-molecular chain-like structure.

| S-EPMC2961430 | biostudies-literature

Bis-[4,4'-(propane-1,3-di-yl)-dipiperidin-ium] β-octa-molybdate(VI).

Project description:The title compound, bis-[4,4'-(propane-1,3-di-yl)-dipiperidin-ium] β-octa-molybdate(VI), (C(13)H(28)N(2))(2)[Mo(8)O(26)], was produced by hydro-thermal reaction of an acidified aqueous solution of Na(2)MoO(4)·2H(2)O and 4,4'-trimethyl-ene-dipiperidine (L). The structure of the title compound consists of β-octa-molybdate(VI) anion clusters and protonated [H(2)L](2+) cations. The octa-molybdate anion is located around an inversion center. N-H⋯O hydrogen bonds between the cations and anions ensure the cohesion of the structure and result in a three-dimensional network.

| S-EPMC2979165 | biostudies-literature

Bis(1,10-phenanthrolin-1-ium) hexa-bromidoplatinate(IV) dihydrate.

Project description:The asymmetric unit of the title compound, (C(12)H(9)N(2))(2)[PtBr(6)]·2H(2)O, contains a protonated 1,10-phenanthroline cation (H-phen), one half of a [PtBr(6)](2-) anionic complex and a solvent water mol-ecule. The Pt(IV) ion is located on an inversion centre and is coordinated in an octa-hedral environment by six Br atoms. The crystal structure displays numerous inter-molecular π-π inter-actions between six-membered rings of H-phen, with a shortest centroid-centroid distance of 3.670 (5) Å, and inter-molecular N-H⋯O, O-H⋯Br and O-H⋯N hydrogen bonds.

| S-EPMC2979881 | 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