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1d-1-O-tert-Butyl-diphenyl-silyl-2,3,6-O-tris-(meth-oxy-methyl-ene)-myo-inositol 4,5-bis-(dibenzyl-phosphate).

ABSTRACT: THE TITLE COMPOUND [SYSTEMATIC NAME: tetra-benzyl (1R,2R,3S,4R,5R,6S)-4-(tert-butyl-diphenyl-sil-yloxy)-3,5,6-tris-(meth-oxy-meth-oxy)cyclo-hexane-1,2-diyl bis-phosphate], C(56)H(68)O(15)P(2)Si, was isolated as an inter-mediate in the preparation of a phosphatidylinositol phosphate for biological studies. In the crystal, the mol-ecules are connected via one methyl-ene C-H?? and two weak phen-yl-ether C-H?O inter-actions. One benz-yloxy group is disordered over two overlapping positions with an occupancy ratio of 0.649?(7):0.351?(7).

SUBMITTER: Anderson RJ

PROVIDER: S-EPMC3297945 | BioStudies | 2012-01-01T00:00:00Z

REPOSITORIES: biostudies

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(E)-3-[3,4-Bis(meth-oxy-methoxy)phen-yl]-1-(7-hy-droxy-5-meth-oxy-2,2-dimethyl-chroman-8-yl)prop-2-en-1-one.

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1-Bromo-2,3,6-trichloro-4,5-dimethoxy-benzene.

Project description:The halogen atoms of the title compound, C(8)H(6)BrCl(3)O(2), are located within the plane of the benzene ring [r.m.s. deviation = 0.036?(11)?Å]. The two meth-oxy groups are twisted out of this plane, with dihedral angles of 84.7?(3) and 68.5?(3)°, and point in opposite directions. The structure is disordered by a non-crystallographic twofold rotation which superimposes Cl and Br at two of the halogen sites. The refined occupancies for the major and minor components are 0.517?(2) and 0.483?(2).

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Dibenzyl ferrocene-1,1'-dicarboxyl-ate.

Project description:In the title compound, [Fe(C(13)H(11)O(2))(2)], there are markedly different orientations of the two phenyl-meth-oxy-carbonyl substituents [O-C-C-C torsion angles = 84.5?(3) and 139.6?(2)°]. These orientations are mediated by a number of inter-molecular C-H?O inter-actions, which result in a one-dimensional hydrogen-bonded network of mol-ecules.

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Crystal structure of mandipropamid.

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Methyl 3-[(chloro-meth-oxy)carbon-yloxy]-7-hy-droxy-cholan-24-oate.

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14-Benzoyl-mesaconine hydro-chloride methanol monosolvate.

Project description:The title compound, C(31)H(44)N(3)O(10) (+)·Cl(-)·CH(4)O, is the methanol solvate of 8-benzo-yloxy-,9,11,11a-tetra-hydroxy-6,10,13-trimeth-oxy-3-meth-oxy-methyl-1-methyl-tetra-deca-hydro-1H-3,6a,12-(epiethane-1,1,2-tri-yl)-7,9-methanona-phtho[2,3-b]azocin-1-ium chloride, the amine-protonated hydro-chloride of 14-benzoyl-mesaconine hydro-chloride. The cation has an aconitine carbon skeleton with four six-membered rings of which three display chair conformations and one a boat conformation, and two five-membered rings with envelope conformations. In the crystal, the components are connected into an infinite chain by inter- and intra-molecular O-H?O, N-H?O and O-H?Cl hydrogen bonds.

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4-Nitro-benzyl 3,4-bis-(acet-yloxy)-2-(4-meth-oxy-phen-yl)pyrrolidine-1-carboxyl-ate: crystal structure, Hirshfeld surface analysis and computational chemistry.

Project description:The title compound, C23H24N2O9, is a tetra-substituted pyrrolidine derivative with a twisted conformation, with the twist evident in the C-C bond bearing the adjacent acet-yloxy substituents. These are flanked on one side by a C-bound 4-meth-oxy-phen-yl group and on the other by a methyl-ene group. The almost sp 2-N atom [sum of angles = 357°] bears a 4-nitro-benzyl-oxycarbonyl substituent. In the crystal, ring-methyl-ene-C-H?O(acet-yloxy-carbon-yl) and methyl-ene-C-H?O(carbon-yl) inter-actions lead to supra-molecular layers lying parallel to (01); the layers stack without directional inter-actions between them. The analysis of the calculated Hirshfeld surfaces indicates the combined importance of H?H (42.3%), H?O/O?H (37.3%) and H?C/C?H (14.9%) surface contacts. Further, the inter-action energies, largely dominated by the dispersive term, point to the stabilizing influence of H?H and O?O contacts in the inter-layer region.

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