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Aqua-(trifluoro-methane-sulfonato)-bis-(1,3,7-trimethyl-purine-2,6-dione)silver(I).

ABSTRACT: In the title compound, [Ag(CF(3)SO(3))(C(8)H(10)N(4)O(2))(2)(H(2)O)], the Ag(I) atom is coordinated by two caffeine N atoms and, at longer distances, two O atoms of a coordinated water mol-ecule and the trifluoro-methane-sulfonate anion, resulting in an AgN(2)O(2) seesaw geometry. The caffeine mol-ecules are roughly coplanar [dihedral angle = 5.81?(5)°]. In the crystal, mol-ecules self-assemble into a linear supra-molecular chain along the c axis via O-H?O hydrogen bonds involving the coordinated water moledcule and carbonyl O atoms. The packing is consolidated by weak C-H?O inter-actions.

SUBMITTER: Arman HD

PROVIDER: S-EPMC2983140 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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Aqua-(trifluoro-methane-sulfonato)-bis-(1,3,7-trimethyl-purine-2,6-dione)silver(I).

Arman Hadi D HD Miller Tyler T Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20100904 Pt 10

In the title compound, [Ag(CF(3)SO(3))(C(8)H(10)N(4)O(2))(2)(H(2)O)], the Ag(I) atom is coordinated by two caffeine N atoms and, at longer distances, two O atoms of a coordinated water mol-ecule and the trifluoro-methane-sulfonate anion, resulting in an AgN(2)O(2) seesaw geometry. The caffeine mol-ecules are roughly coplanar [dihedral angle = 5.81 (5)°]. In the crystal, mol-ecules self-assemble into a linear supra-molecular chain along the c axis via O-H⋯O hydrogen bonds involving the coordinate ...[more]

PMID: 21587369

Similar Datasets

Aqua-bis-[2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole-?(2)N(2),N(3)](trifluoro-methane-sulfonato-?O)copper(II) trifluoro-methane-sulfonate.

Project description:2,5-Bis(pyridin-2-yl)-1,3,4-thia-diazole (denoted L) has been found to act as a bidentate ligand in the monomeric title complex, [Cu(CF(3)O(3)S)(C(12)H(8)N(4)S)(2)(H(2)O)](CF(3)O(3)S). The complex shows a distorted octahedrally coordinated copper(II) cation which is linked to two thia-diazole ligands, one water mol-ecule and one trifluoro-methane-sulfonate anion. The second trifluoro-methane-sulfonate anion does not coordinate the copper(II) cation. Each thia-diazole ligand uses one pyridyl and one thia-diazole N atom for the coordination of copper. The N atom of the second non-coordinating pyridyl substituent is found on the same side of the 1,3,4-thia-diazole ring as the S atom. The trifluoro-methane-sulfonate ions are involved in a three-dimensional network of O-H?O hydrogen bonds. C-H?N inter-actions also occur.

| S-EPMC3343784 | biostudies-literature

catena-Poly[copper(I)-bis(μ-trifluoro-methane-sulfonato-κO:O')-copper(I)-bis(μ-trimethyl trithio-phosphite)-κP:S;κS:P].

Project description:The title compound, [Cu(2)(CF(3)SO(3))(2)(C(3)H(9)PS(3))(2)](n), crystallizes as infinite chains in which two trimethyl trithio-phosphite ligands and two trifluoro-methane-sulfonate anions bridge the essentially tetra-hedrally coordinated Cu(I) ions in an alternating fashion. The P and one S atom of each trimethyl trithio-phosphite ligand are employed for coordination. The mol-ecular structure exhibits the rare motif of copper(I) bridged by two trifluoro-methane-sulfonate anions generating eight-membered rings.

| S-EPMC2967919 | biostudies-literature

?(3)-Oxido-tris-{dichlorido[1,3-bis-(1,3,5-trimethyl-phen-yl)imidazol-2-yl-idene]gold(III)} bis-(trifluoro-methane-sulfon-yl)imide-[bis-(trifluoro-methane-sulfon-yl)imide]-silver(I) (1/2).

Project description:The unusual trinuclear Au(III) oxide title complex, [Au(3)Cl(6)O(C(21)H(24)N(2))(3)](C(2)F(6)NO(4)S(2))·2[Ag(C(2)F(6)NO(4)S(2))], is the side product of the reaction of [1,3-bis-(1,3,5-trimethyl-phen-yl)imidazol-2-yl-idene]dichloridophenyl-gold(III) with silver bis-(trifluoro-methane-sulfon-yl)imide in the presence of traces of water. In contrast to corresponding Au(I) complexes, the core structure of the title compound is planar. Two silver(I) bis-(trifluoro-methane-sulfon-yl)imide units are loosely bound to the complex cation. Here the silver atoms, disordered over two positions in a 0.870?(2):0.130?(2) ratio, inter-act either with the lone pairs of three chlorine ligands or two chlorine ligands and one edge of the mesityl ?-system. The crystal under investigation was a partial racemic twin.

| S-EPMC3006696 | biostudies-literature

(18-Crown-6)(trifluoro-methane-sulfonato)-sodium.

Project description:The title compound, [Na(CF(3)O(3)S)(C(12)H(24)O(6))], features a sodium cation that is coordinated by eight O atoms in an irregular hexa-gonal bipyramidal environment. The equatorial positions are occupied by the six O atoms of an 18-crown-6 ether ring. In the axial positions, there is one O atom of a trifluoro-methane-sulfonate anion and an ether O atom of a symmetry-equivalent crown ether ring. In this way, centrosymmetric dimers are formed.

| S-EPMC3007570 | biostudies-literature

Benzene-1,2,4,5-tetra-carb-oxy-lic acid bis-(1,3,7-trimethyl-2,3,6,7-tetra-hydro-1H-purine-2,6-dione).

Project description:The asymmetric unit of the title co-crystal, C10H6O8·2C8H10N4O2, comprises a centrosymmetric benzene-1,2,4,5-tetra-carb-oxy-lic acid (LH4) mol-ecule and a mol-ecule of caffeine in a general position. LH4 is nonplanar, with the dihedral angles between the ring and pendent carb-oxy-lic acid groups being 44.22?(7) and 49.74?(7)°. By contrast, the caffeine mol-ecule is planar (r.m.s. deviation = 0.040?Å). Supra-molecular layers parallel to (-1-10) are sustained by carb-oxy-lic acid O-H?O(carbon-yl) and O-H?N(imidazole) hydrogen bonds, as well as by meth-yl-carbonyl C-H?O inter-actions. These stack via ?-? inter-actions between the benzene and imidazole rings [inter-centroid distance = 3.4503?(10)?Å].

| S-EPMC3884421 | biostudies-other

Dicarbon-yl(?-cyclo-penta-dien-yl)bis-(trimethyl-phosphine)molybdenum(II) trifluoro-methane-sulfonate.

Project description:In the title compound, [Mo(C(5)H(5))(CO)(2)(C(3)H(9)P)(2)]CF(3)SO(3), the cationic complex displays a classical four-legged piano-stool square-pyramidal geometry with a trans configuration of the basal ligands around the Mo atom. The cyclo-penta-dienyl (Cp) ligand occupies the apical position of the piano-stool configuration. The average Mo-P bond length of the two trans PMe(3) ligands is 2.474?(5)?Å and the Mo-Cp centroid distance is 2.003?(2)?Å.

| S-EPMC2959586 | biostudies-literature

Bis[μ-bis-(diphenyl-phosphan-yl)methane-κ(2)P:P']bis-[(isoquinoline-κN)silver(I)] bis-(trifluoro-methane-sulfonate)-isoquinoline (1/1).

Project description:The title complex, [Ag(2)(C(25)H(22)P(2))(2)(C(9)H(7)N)(2)](CF(3)SO(3))(2)·C(9)H(7)N, was prepared by the reaction of silver(I) trifluoro-methane-sulfonate with isoquinoline and bis-(diphenyl-phosphan-yl)methane (dppm). The dinuclear mol-ecule is located about a center of inversion and the Ag(I) atom is coordinated by two dppm P atoms and one isoquinoline N atom, forming an eight-membered metalla ring. In addition, in the asymmetric unit, there is a half-mol-ecule of isoquinoline located about a center of inversion. Since this mol-ecule does not possess this symmetry, for one position in the ring there is superposition of both a C atom of a C-H group and the isoquinoline N atom. In the structure, the Ag-P distances [2.4296 (9) and 2.4368 (9) Å] agree with the corresponding distances in related structures, while the Ag-N bond length [2.489 (3) Å] is slightly longer than that in related structures. On the other hand, the P-Ag-P angle [156.44 (3)°] is much larger than the corresponding angles in related structures. The trifluoro-methane-sulfonate anions do not coordinate to Ag(I) atoms. As is usually found for these anions, the -CF(3) group is disordered over two orientations [occupancies = 0.57 (12) and 0.43 (12)].

| S-EPMC3414098 | biostudies-literature

Poly[[{?(4)-1,2-bis-[(3-cyano-benzyl-idene)hydrazono]-1,2-diphenyl-ethane}bis-(trifluoro-methane-sulfonato)disilver(I)] benzene solvate].

Project description:In the title complex, {[Ag(2)(CF(3)O(3)S)(2)(C(30)H(20)N(6))]·C(6)H(6)}(n), the two independent Ag(I) ions are each coordinated by two N atoms and one O atom in a 'T-shaped' geometry. In the crystal structure, 1,2-bis-[(3-cyano-benzyl-idene)hydrazono]-1,2-diphenyl-ethane ligands act as bridging ligands and each coordinates to four Ag(I) ions, resulting in a one-dimensional chain structure. The crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2961533 | biostudies-literature

Bis[?-bis-(diphenyl-phosphino)methane-?P:P']bis-[(4-toluene-sulfonato-?O)silver(I)] monohydrate.

Project description:The title complex, [Ag(2)(C(7)H(7)O(3)S)(2)(C(25)H(22)P(2))(2)]·H(2)O, was obtained by the reaction of silver toluene-sulfonate with diphenyl-phosphinomethane (dppm) in acetonitrile. There are two unique half-mol-ecules of the complex in the asymmetric unit, together with one water mol-ecule, which is disordered over two positions with site occupancy factors of 0.6 and 0.4. In each centrosymmetric neutral dimeric mol-ecule, two Ag atoms are bridged by a pair of dppm ligands to give an eight-membered Ag(2)P(4)C(2) ring with a distorted AgOP(2) trigonal-planar environment. The Ag-Ag distances of 2.9215?(9) and 3.027?(1)?Å indicate a direct bonding inter-action.

| S-EPMC2960244 | biostudies-other

Bis[?(2)-bis-(diphenyl-phosphan-yl)methane-?P:P']bis-(?(4)-diphenyl-phosphinato-?O:O:O':O')bis-[?(2)-trifluoro-methane-sulfonato-(0.546/0.454)]-?O:O';?O:O-tetra-silver(I) acetonitrile disolvate.

Project description:In the centrosymmetric tetra-nuclear title compound, [Ag(4)(C(12)H(10)O(2)P)(2)(CF(3)O(3)S)(2)(C(25)H(22)P(2))(2)]·2CH(3)CN, the Ag(I) atom is coordinated by one P atom from a bis-(diphenyl-phosphan-yl)methane (dppm) ligand, two O atoms from two diphenyl-phosphinate (dpp) ligands and one O atom from a trifluoro-methane-sulfonate (OTf) anion in a highly distorted tetra-hedral geometry. Four Ag(I) atoms are bridged by two dppm ligands, two dpp ligands and two OTf anions, forming a tetra-nuclear complex. An weak intra-molecular Ag?Ag [3.2692?(14)?Å] inter-action is observed. The OTf anion and one of the phenyl groups in the dppm ligand are disordered over two sets of positions in a 0.546?(4):0.454?(4) ratio. The 0.546-occupied OTf is bonded to two Ag atoms in a ?-(?(2)O:O') mode, while the 0.454-occupied OTf is bonded in a ?-(?(2)O:O) mode. The methyl group of the acetonitrile solvent mol-ecule is also disordered over two positions with equal occupancy factors.

| S-EPMC3212199 | biostudies-other

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