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Tetra-kis(4-tert-butyl-benz-yl)silane.

ABSTRACT: The title compound, C(44)H(60)Si, was prepared as an inter-nal standard for diffusion-ordered NMR spectroscopy. The Si atom lies on a special position with site symmetry.

SUBMITTER: Burnham LE

PROVIDER: S-EPMC3007930 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Tetra-kis(2,3,5,5-tetra-methyl-hexen-2-yl)silane.

Project description:In the title compound, C40H76Si, the Si atom is located on a special position of site symmetry -4. Thus, there is just a quarter of a mol-ecule in the asymmetric unit. The C=C double bonds exhibit a trans configuration. The Si atom and the tert-butyl group are located on the same side of the plane formed by the C=C double bond and its four substituents. The crystal packing shows no short contacts between the mol-ecules and despite the low crystal density (0.980 Mg m(-3)), there are no significant voids in the structure.

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1,1,3,3-Tetra-tert-butyl-2,2-diisopropyl-4,4-diphenyl-cyclo-tetra-silane.

Project description:The molecule in the structure of the title compound, C34H60Si4, lies on a twofold rotation axis that passes through the two Si atoms, resulting in a planar cyclo-tetra-silane ring. The dihedral angle between the cyclo-tetra-silane ring and the phenyl ring is 68.20?(5)°. The Si-Si bonds [2.4404?(8) and 2.4576?(8)?Å] are longer than a standard Si-Si bond (2.34?Å) and the C-Si-C bond angle [97.07?(14)°] of the phenyl-substituted Si atom is smaller than the tetra-hedral bond angle (109.5°). These long bonds and small bond angle are favorable for reducing the steric hindrance among the bulky substituents.

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2-(4-Bromo-benz-yl)-5,11,17,23-tetra-tert-butyl-25,26,27,28-tetra-methoxy-calix[4]arene.

Project description:In the title compound, C(55)H(69)BrO(4), the calixarene mol-ecule displays a 'partial cone' conformation bearing the lateral substituent in a sterically favorable equatorial arrangement between two syn-orientated arene units. The crystal packing is stabilized by weak C-H?? contacts, involving one tert-butyl group, and ?-stacking inter-actions of the lateral bromo-benzene units [centroid-centroid distance = 3.706?(1)?Å].

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1-(4-tert-Butyl-benz-yl)-2-(4-tert-butyl-phen-yl)-1H-benzimidazole.

Project description:In the mol-ecule of the title compound, C(28)H(32)N(2), the benzimidazole ring system is almost planar [maximum deviation = 0.0221 (15) Å] and forms dihedral angles of 85.86 (4) and 32.09 (6)° with the benzene rings. In the crystal structure, mol-ecules are linked into chains running parallel to the a axis by inter-molecular C-H⋯N hydrogen bonds. The methyl groups of a tert-butyl group are rotationally disordered over two positions with refined site-occupancy factors of 0.636 (4) and 0.364 (4).

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N-(4-tert-Butyl-benz-yl)phthalimide.

Project description:The mol-ecule of the title compound [systematic name: 2-(4-tert-butyl-benz-yl)isoindoline-1,3-dione], C(19)H(19)NO(2), is V-shaped with a dihedral angle of 74.15?(7)° between the mean planes of the phthalimide unit and the benzene ring. The methyl groups of the tert-butyl substituent are disordered over two sets of positions, with an occupancy ratio of 0.700?(4):0.300?(4). In the crystal, inter-molecular C-H?O hydrogen bonds link adjacent mol-ecules into centrosymmetric dimers. An additional weak C-H?O contact, together with weak C-H?? and ?-? inter-actions [centroid-centroid distance = 3.961?(2)?Å] generate a three-dimensional network.

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1,1,4,4-Tetra-tert-butyl-1,4-dichloro-2,2,3,3-tetra-phenyl-tetra-silane.

Project description:The title compound, C(40)H(56)Cl(2)Si(4), was synthesized by the coupling of 1,1-di-tert-butyl-1,2-dichloro-2,2-diphenyl-disilane with lithium. The asymmetric unit contains one half-mol-ecule, which is completed by an inversion centre. In the mol-ecule, the tetra-silane skeleton adopts a perfect anti conformation and the Si-Si bonds [2.4355?(5) and 2.4328?(7)?Å] are longer than the standard Si-Si bond length (2.34?Å). The Si-Si-Si angle [116.09?(2)°] is larger than the tetra-hedral bond angle (109.5°). These long bond lengths and the wide angle are favorable for reducing the steric hindrance among the tert-butyl and the phenyl groups. The dihedral angle between the phenyl rings in the asymmetric unit is 37.36?(8)°.

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1-(4-tert-Butyl-benz-yl)-3-(3,4,5-tri-methoxy-benz-yl)benzimidazolium bromide monohydrate.

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Project description:In the title compound, C(23)H(21)Br(2)N, which was synthesized by the N-alkyl-ation of 1-tert-butyl-4-(chloro-meth-yl)benzene with 3,6-dibromo-9H-carbazole, the asymmetric unit contains two unique mol-ecules. Each carbazole ring system is essentially planar, with mean deviations of 0.0077 and 0.0089?Å for the two mol-ecules. The carbazole planes make dihedral angles of 78.9?(2) and 81.8?(2)° with the planes of the respective benzene rings.

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tert-Butyl N-(4-hy-droxy-benz-yl)-N-[4-(prop-2-yn-yloxy)benz-yl]carbamate.

Project description:In the crystal structure of the title compound, C(22)H(25)NO(4), inter-molecular O-H?O hydrogen bonds involving the hy-droxy group of the 4-(amimometh-yl)phenol fragment and the C=O group connect the mol-ecules into infinite chains along the c axis. Two C atoms of the propyne group are disordered over two sites with occupancy factors of 0.53?(2) and 0.47?(2).

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Project description:The title compound, [ZnBr(2)(C(12)H(28)N(2)Si)], is an example of a neutral coordination compound of a bidentate ligand to a metal centre with the Zn atom being coordinated by two Br and two N atoms, yielding a slightly distorted tetra-hedral coordination environment.

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