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Benzene-1,3,5-triyl tris-(methane-sulfonate).

ABSTRACT: In the mol-ecule of the title compound, C(9)H(12)O(9)S(3), the two methanesulfonate groups re located one above and one below the ring plane. The C-O-S angle range is 119.3?(2)-121.1?(2)°. This conformation is different from that of the benzene analog 1,2,5-tris-(p-toluene-sulfonate), which is a three-legged 'table' with all fragments of the p-toluene-sulfonate on top of the benzene ring. In the crystal, the supra-molecular aggregation is completed by the presence of C-H?O hydrogen bonds.

SUBMITTER: Madrigal D

PROVIDER: S-EPMC2983843 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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Benzene-1,3,5-triyl tris-(methane-sulfonate).

Madrigal Domingo D Aguirre Gerardo G Vargas Berenice B

Acta crystallographica. Section E, Structure reports online 20100303 Pt 4

In the mol-ecule of the title compound, C(9)H(12)O(9)S(3), the two methanesulfonate groups re located one above and one below the ring plane. The C-O-S angle range is 119.3 (2)-121.1 (2)°. This conformation is different from that of the benzene analog 1,2,5-tris-(p-toluene-sulfonate), which is a three-legged 'table' with all fragments of the p-toluene-sulfonate on top of the benzene ring. In the crystal, the supra-molecular aggregation is completed by the presence of C-H⋯O hydrogen bonds. ...[more]

PMID: 21580584

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2,4,6-Trimethyl-1,3,5-tris-(morpholino-meth-yl)benzene.

Project description:In the title compound, C(24)H(39)N(3)O(3), the H atoms of the methyl groups are disordered over two positions, with site-occupation factors fixed at 0.5. The three morpholino groups are arranged in an asymmetrical fashion with respect to the anchoring mesitylene ring and adopt chair conformations. Inter-molecular C-H?? inter-actions link the mol-ecules into a one-dimensional chain structure.

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Benzene-1,3,5-triyl tris-(2,2-dimethyl-propanoate).

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1,3,5-Tris(bromo-meth-yl)-2,4,6-trimeth-oxy-benzene.

Project description:There are three independent mol-ecules in the asymmetric unit of the title compound, C12H15Br3O3, two of which have approximate trigonal symmetry, the third being conformationally different as it adopts near mirror symmetry. The crystal structure features C-H?Br inter-actions, a weak C-H?O hydrogen bond, ?-? inter-actions [minimum ring centroid separation = 3.4927?(18)?Å] and a short Br?Br contact [3.5894?(5)?Å], resulting in a three-dimensional supramolecular network.

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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

1,3,5-Tris{[3-(1H-benzotriazol-1-ylmeth-yl)phen-oxy]meth-yl}-2,4,6-trimethyl-benzene.

Project description:In the title compound, C(51)H(45)N(9)O(3), three 1-(1H-benzotriazol-1-ylmeth-yl)-3-phen-yloxy (bmph) ligands are bonded to the central benzene ring in an asymmetric arrangement, two bmph located on one side of the central benzene ring and the other bmph located on the opposite side of the central benzene ring. The dihedral angles between the central benzene ring and the three pendant phenoxy rings are 76.71?(14), 67.81?(13) and 70.67?(16)°. In the crystal structure, one bmph is disordered over two sites in a 0.611?(5):0.389?(5) ratio. Some of the methyl H atoms are equally disordered over two sets of sites. Inter-molecular C-H?N hydrogen bonding is present in the crystal structure.

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