Tetra-kis(4-tert-butyl-benz-yl)silane.
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ABSTRACT:
SUBMITTER: Burnham LE
PROVIDER: S-EPMC3007930 | biostudies-literature |
REPOSITORIES: biostudies-literature
Similar Datasets
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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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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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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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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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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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Project description:A novel N-heterocyclic carbene derivative, C(28)H(33)N(2)O(3) (+)·Br(-)·H(2)O, was synthesized and characterized by elemental analysis, (1)H and (13)C-NMR and IR spectroscopy and a single-crystal X-ray diffraction study. Ions of the title compound are linked by ??? stacking inter-actions (face-face separation 3.441?Å) and C-H?Br and O-H?Br inter-actions. Intra- and intermolecular C-H?O inter-actions are also present. The C-N bond lengths for the compound [1.329?(3), 1.325?(3), 1.389?(3) and 1.391?(3)?Å] are all shorter than the average single C-N bond length of 1.48?Å, thus showing varying degrees of double-bond character.
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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.
| S-EPMC2962237 | biostudies-literature
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 salt, C(8)H(20)N(+)·C(22)H(27)O(3)S(-), is a proton-transfer compound derived from the recently reported parent carb-oxy-lic acid [Alhadi et al. (2010). Acta Cryst. E66, o1787] by the addition of a second equivalent of di-n-butyl-amine, yielding the di-n-butyl-ammonium carboxyl-ate salt. The structure of the carboxyl-ate anion resembles that of the parent carb-oxy-lic acid. The main difference lies in the position of the H atom in the 4-hy-droxy group. In the anion the O-H bond is perpendicular, rather than parallel, to the benzyl ring. This position appears to facilitate hydrogen bonding to an O atom of the carboxyl-ate group of a symmetry-related anion. In addition, there are three N-H⋯O hydrogen bonds. In contrast, the neutral species hydrogen bonds via a carboxylic acid dimer. The dihedral angle between the benzene rings in the anion is 79.19 (7)°.
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