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Tris[2,2,6,6-tetra-methyl-8-(tri-methyl-sil-yl)benzo[1,2-d;4,5-d']bis-(1,3-di-thiol)-4-yl]methanol diethyl ether monosolvate.

ABSTRACT: The title compound, a tri-aryl-methanol, C46H64OS12Si31, was synthesized via li-thia-tion of tris-2,2,6,6-tetra-methyl-benzo[1,2-d;4,5-d']bis-[1,3]di-thiol-4-yl-methanol, 2, and electrophilic quenching with tri-methyl-silyl chloride. The current crystal structure reveals information about the reactivity of this compound and compares well with the structure reported for the unsubstituted parent compound 2 [Driesschaert et al. (2012 ▸). Eur. J. Org. Chem.33, 6517-6525]. The title compound 1 forms mol-ecular propellers and crystallizes in P [Formula: see text], featuring an unusually long Si-Car bond of 1.910 (3) Å. Moreover, the geometry at the central quaternary carbon is rather trigonal-pyramidal than tetra-hedral due to vast intra-molecular stress. One tri-methyl-silyl group is disordered over two positions in a 0.504 (4):0.496 (4) ratio and one S atom is disordered over two positions in a 0.509 (7):0.491 (7) ratio. The contribution of disordered diethyl ether solvent mol-ecule(s) was removed using the PLATON SQUEEZE (Spek, 2015 ▸) solvent masking procedure. These solvent mol-ecules are not considered in the given chemical formula and other crystal data.

SUBMITTER: Fleck N

PROVIDER: S-EPMC5946984 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Tris-[4-(di-methyl-amino)-pyridine][tris(pyra-zol-1-yl)methane]--ruthenium(II) bis-(hexa-fluorido-phosphate) diethyl ether monosolvate.

Project description:In the title compound, [Ru(C10H10N6)(C7H10N2)3](PF6)2·C4H10O, the Ru(II) cation is coordinated by one tris-(1-pyrazol-yl)methane (Tpm) and three dimethylaminopyridine (dmap) ligands in a slightly distorted octa-hedral geometry. The asymmetric unit consists of one complex cation, two hexa-fluorido-phosphate anions and one diethyl ether solvent mol-ecule in general positions. Although quite a large number of ruthenium complexes of the facially coordinating tridentate Tpm ligand have been structurally characterized, this is only the second one containing three pyridyl co-ligands. The average Ru-N(Tpm) distance is 2.059?(12)?Å, while the average Ru-N(dmap) [dmap = 4-(di-methyl-amino)-pyridine] distance is somewhat longer at 2.108?(13)?Å. The orientation of the dmap ligands varies greatly, with dihedral angles between the pyridyl and opposite pyrazolyl rings of 14.3?(2), 23.2?(2) and 61.2?(2)°.

| S-EPMC3790357 | biostudies-literature

Crystal structures of 2-bromo-1,1,1,3,3,3-hexa-methyl-2-(tri-methyl-sil-yl)tris-ilane and 2-bromo-1,1,1,3,3,3-hexa-isopropyl-2-(triiso-propyl-sil-yl)tri-silane.

Project description:The synthesis and crystal structures of two tris-(tri-alkyl-sil-yl)silyl bromide compounds, C9H27BrSi4 (I, HypSiBr) and C27H63BrSi4 (II, TipSiBr), are described. Compound I was prepared in 85% yield by free-radical bromination of 1,1,1,3,3,3-hexa-methyl-2-(tri-methyl-sil-yl)tris-ilane using bromo-butane and 2,2'-azobis(2-methyl-propio-nitrile) as a radical initiator at 333 K. The mol-ecule possesses threefold rotational symmetry, with the central Si atom and the Br atom being located on the threefold rotation axis. The Si-Br bond distance is 2.2990 (12) Å and the Si-Si bond lengths are 2.3477 (8) Å. The Br-Si-Si bond angles are 104.83 (3)° and the Si-Si-Si bond angles are 113.69 (2)°, reflecting the steric hindrance inherent in the three tri-methyl-silyl groups attached to the central Si atom. Compound II was prepared in 55% yield by free-radical bromination of 1,1,1,3,3,3-hexa-isopropyl-2-(triiso-propyl-sil-yl)tris-ilane using N-bromo-succinimide and 2,2'-azobis(2-methyl-propio-nitrile) as a radical initiator at 353 K. Here the Si-Br bond length is 2.3185 (7) Å and the Si-Si bond lengths range from 2.443 (1) to 2.4628 (9) Å. The Br-Si-Si bond angles range from 98.44 (3) to 103.77 (3)°, indicating steric hindrance between the three triiso-propyl-silyl groups.

| S-EPMC6072994 | biostudies-literature

?2-Acetato-?(2) O:O'-(4,4'-bipyridyl-?N)tris-(diethyl di-thio-phosphato-?(2) S,S')-?3-sulfido-tri-?2-sulfido-trimolybdenum(IV) diethyl ether monosolvate.

Project description:In the title compound, [Mo3(CH3COO)(C4H10O2PS2)3S4(C10H8N2)]·C4H10O, the complex mol-ecule has a trinuclear incomplete cuboidal structure which is coordinated by three kinds of ligands, namely, diethyl di-thio-phosphate, acetate and 4,4'-bipyridyl. If Mo-Mo bonds are ignored, each Mo atom can be considered as six-coordinated in a distorted octa-hedral geometry. The Mo-Mo distance of 2.6880?(5)?Å for two the Mo atoms bridged by the acetate ligand is shorter than the other two Mo-Mo distances [2.7490?(5) and 2.7566?(5)?Å]. One ethyl group is disordered between two conformations in a 0.65?(3):0.35?(3) ratio. In the crystal, weak C-H?O inter-actions link the trinuclear mol-ecules related by translation in [100] into chains. The crystal packing exhibits short inter-molecular S?S contacts of 3.1886?(13)?Å. In other words, in this crystal packing, a supramolecular structure is constructed by the C-H?O and S?S interactions.

| S-EPMC4120534 | biostudies-literature

Di-?-bromido-bis-[(diethyl ether-?O)(2,4,6-tri-methyl-phen-yl)magnesium]: the mesityl Grignard reagent.

Project description:The crystal structure of the title compound, [Mg2Br2(C9H11)2(C4H10O)2], features a centrosymmetric two-centre magnesium complex with half a mol-ecule in the asymmetric unit. The Mg atom is in a considerably distorted Br2CO coordination. Bond lengths and angles are comparable with already published values. The crystal packing is stabilized by C-H?? inter-actions linking the complexes into sheets parallel to (0-11).

| S-EPMC3772445 | biostudies-literature

1,1'-(Diselanediylbis{[P,P-diphenyl-N-(tri-methyl-sil-yl)phospho-rimido-yl]methanylyl-idene})bis-[1,1-diphenyl-N-(tri-methyl-sil-yl)-?(5)-phosphanamine] pentane disolvate.

Project description:The title compound, C62H78N4P4Se2Si4·2C5H12, is made up of two [SeC(PPh2NSiMe3)(PPh2NHSiMe3)] units related by an inversion center situated at the mid-point of the diselenide bond. It crystallized with two disordered mol-ecules of pentane used as solvent of crystallization. It is a rare example of an anti-periplanar diselenide and exhibits a long Se-Se bond of 2.4717?(8)?Å. The Se-C bond length of 1.876?(5)?Å is short in comparison with the range of values found for other diselenides (1.91-1.97?Å). The mol-ecule exhibits two intra-molecular N-H?N hydrogen bonds. In the crystal, there are no significant inter-molecular inter-actions present. One of the Me3Si- groups is disordered over two positions with a refined occupancy ratio of 0.708?(8):0.292?(8). The contribution of the disordered solvent to the scattering was removed with the SQUEEZE option of PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155]. The solvent contribution has been included in the reported mol-ecular weight and density.

| S-EPMC3914070 | biostudies-literature

2-Meth-oxy-3-(tri-methyl-sil-yl)phenyl-boronic acid.

Project description:The mol-ecular structure of the title compound, C10H17BO3Si, features an intra-molecular O-H?O hydrogen bond; the boronic group group has an exo-endo conformation. In the crystal, the mol-ecules inter-act with each other by O-H?O hydrogen bonds, producing centrosymmetric dimers that are linked by weak ?-? stacking inter-actions featuring specific short B?C contacts [e.g. 3.372?(2)?Å], forming an infinite columnar structure aligned along the a-axis direction.

| S-EPMC4004439 | biostudies-literature

1-Ethyl-2-phenyl-3-[2-(tri-methyl-sil-yl)ethyn-yl]-1H-indole.

Project description:The title compound, C21H23NSi, was synthesized by Sonogashira-type reaction of 1-ethyl-3-iodo-2-phenyl-1H-indole with tri-methyl-silyl-acetyl-ene. The indole ring system is nearly planar [maximum atomic deviation = 0.0244?(15)?Å] and is oriented at a dihedral angle of 51.48?(4)° with respect to the phenyl ring. The supramolecular aggregation is completed by weak C-H?? inter-actions of the methylene and phenyl groups with the benzene and pyrrole rings of the indole ring system. The methyl groups of the tri-methyl-silyl unit are equally disordered over two sets of sites.

| S-EPMC3685072 | biostudies-literature

[N,N'-Bis(2,6-diisopropyl-phen-yl)methanimidamidato][?-1,4-bis-(tri-methyl-sil-yl)cyclo-octa-tetra-enyl](tetra-hydro-furan)-samarium(III) toluene monosolvate.

Project description:The title compound, [Sm(C(25)H(35)N(2))(C(14)H(24)Si(2))(C(4)H(8)O)]·C(7)H(8), was prepared by treatment of anhydrous samarium trichloride with a 1:1 mixture of in situ-prepared Li(DippForm) [DippFormH = N,N'-bis-(2,6-diisopropyl-phen-yl)methanimidamide] and Li(2)(COT'') [COT'' = 1,4-bis-(trimethyl-sil-yl)cyclo-octa-tetra-enyl] in tetra-hydro-furan (THF). Despite the presence of two very bulky ligands (COT'' and DippForm), the mol-ecule still contains one coordinated THF ligand. The overall coordination geometry around the Sm(III) atom resembles a three-legged piano-stool with the COT'' ligand being ?(8)-coordinated and the DippForm(-) anion acting as an N,N'-chelating ligand [Sm-N = 2.5555?(15) and 2.4699?(15)?Å]. The asymmetric unit also contains a disordered mol-ecule of toluene, the refined ratio of the two components being 0.80?(4):0.20?(4).

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4,4',4''-Tris(2-pyrid-yl)-2,2',2''-[(2,4,6-trimethyl-benzene-1,3,5-tri-yl)tris-(methyl-ene)tris-(sulfanedi-yl)]tripyrimidine.

Project description:The title compound, C(39)H(33)N(9)S(3), features a mesitylene unit substituted with three thio-ether arms. The distances from the center of mesitylene unit to the N atoms of the three pyridine rings in the arms are 10.05?(1), 9.94?(3) and 8.79?(3)?Å. The crystal structure shows weak intra-molecular C-H?N hydrogen bonds.

| S-EPMC2977171 | biostudies-literature

2,2,6,6-Tetra-methyl-piperidinium penta-chloro-benzene-thiol-ate.

Project description:In the crystal structure of the title compound, C(9)H(20)N(+)·C(6)Cl(5)S(-), two cation-anion pairs are linked by N-H?S hydrogen bonds to produce a cyclic aggregate of R(4) (2)(8) type. The dimers are interconnected via ?-? stacking [centroid-centroid distance = 3.851(2)?Å] and weak C-H?Cl hydrogen-bonding inter-actions.

| S-EPMC2960709 | biostudies-literature

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