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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 |

REPOSITORIES: biostudies-literature

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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

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

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

Project description:The title compound, bis-[4,4'-(propane-1,3-di-yl)-dipiperidin-ium] ?-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 ?-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(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(2,2'-bipyridine)[1,9-bis(diphenylphos-phanyl)-1,2,3,4,6,7,8,9-octahydropyrim-ido[1,2-a]pyrimidin-5-ium]ruthenium(II) hexa-fluorido-phosphate dibromide di-chloro-methane disolvate monohydrate.

Project description:In the cation of the title complex, [Ru(C31H32N3P2)(C10H8N2)2](PF6)(Br)2·2CH2Cl2·H2O, the ruthenium ion is coordinated in a distorted octa-hedral geometry by two 2,2'-bi-pyridine (bpy) ligands and a chelating cationic N-di-phenyl-phosphino-1,3,4,6,7,8-hexa-hydro-2-pyrimido[1,2-a]pyrimidine [(PPh2)2-hpp] ligand. The tricationic charge of the complex is balanced by two bromide and one hexa-fluorido-phosphate counter-anions. The compound crystallized with two mol-ecules of di-chloro-methane (one of which is equally disordered about a Cl atom) and a water mol-ecule. In the crystal, one of the Br anions bridges two water mol-ecules via O-H⋯Br hydrogen bonds, forming a centrosymmetric diamond-shaped R (4) 2(8) motif. The cation and anions and the solvent mol-ecules are linked via C-H⋯F, C-H⋯Br, C-H⋯Cl and C-H⋯O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3884983 | biostudies-literature

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