82 research outputs found

    catena-Poly[sodium(I)-μ-tetra­butoxy­borato]

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    The title compound, [Na(C16H36BO4)]n, has a fourfold axis passing through the Na and B atoms which both are bound by four O atoms. The tetra­butoxy­borate anion provides the bridging to form one-dimensional polymers running along [001], just like those found for the tetra­ethoxy­borate structure. The two but­oxy ‘tail’ atoms are disordered over two conformations in a 0.887 (9):0.113 (9) ratio

    1d-1-O-tert-Butyl­diphenyl­silyl-2,3,6-O-tris­(meth­oxy­methyl­ene)-myo-inositol 4,5-bis­(dibenzyl­phosphate)

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    The title compound [systematic name: tetra­benzyl (1R,2R,3S,4R,5R,6S)-4-(tert-butyl­diphenyl­sil­yloxy)-3,5,6-tris­(meth­oxy­meth­oxy)cyclo­hexane-1,2-diyl bis­phosphate], C56H68O15P2Si, was isolated as an inter­mediate in the preparation of a phosphatidylinositol phosphate for biological studies. In the crystal, the mol­ecules are connected via one methyl­ene C—H⋯π and two weak phen­yl–ether C—H⋯O inter­actions. One benz­yloxy group is disordered over two overlapping positions with an occupancy ratio of 0.649 (7):0.351 (7)

    2-(3-Cyano-4-{7-[1-(2-hy­droxy­eth­yl)-3,3-dimethyl­indolin-2-yl­idene]hepta-1,3,5-trien­yl}-5,5-dimethyl-2,5-dihydro­furan-2-yl­idene)malononitrile

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    The title compound, C29H28N4O2, excluding the hydroxyethyl and methyl groups, is slightly twisted from planarity so that the terminating indol-2-yl­idene and furan-2-yl­idene moiety planes subtend a dihedral angle of 6.27 (8)°. A small inwards fold in the polymethine atom chain is consistent with centrosymmetric dimer formation via O—H⋯N(cyano) hydrogen bonds. In the crystal, the mol­ecules pack in layers approximately parallel to the (10) plane via pairs of O—H⋯N and C—H⋯N(cyano) inter­actions

    Ethyl 1-benzyl-4-hydr­oxy-2-methyl-5-oxopyrrolidine-3-carboxyl­ate

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    In the title oxopyrrolidine, C15H19NO4, the five-membered pyrrolidine ring is in a twist conformation and its mean plane makes an angle of 89.2 (3)° with the phenyl ring. In the crystal, mol­ecules pack as dimers via strong O—H⋯O [R 2 2(10)] inter­actions cross-linked by weaker C—H⋯O and C—H⋯π inter­actions. Full synthetic and spectroscopic details are given for the title compound and related dicarboxyl­ates

    (3R,6S,7aS)-3-Phenyl-6-(phenyl­sulfan­yl)perhydro­pyrrolo[1,2-c]oxazol-5-one

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    Mol­ecules of the title compound [systematic name: (2R,5S,7S)-2-phenyl-7-phenyl­sulfanyl-1-aza-3-oxa­bicyclo­[3.3.0]octan-8-one], C18H17NO2S, form high quality crystals even though they are only packed using C—H⋯O(carbon­yl) and weak C—H⋯S inter­actions. The dihedral angle between the aromatic rings is 85.53 (5)°. The fused rings adopt envelope and twist conformations

    2-{3-Cyano-5,5-dimethyl-4-[6-(pyrrol­i­din-1-yl)hexa-1,3,5-trien­yl]-2,5-dihydro-2-furylidene}malononitrile

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    The title compound, C20H20N4O, is packed into a three-dimensional ‘herringbone’ matrix using two different types of attractive C—H⋯N(cyano) inter­actions. The bond-length alternation, caused by delocalization of charge between the donor N atoms and the cyano acceptor groups, is compared with related compounds

    (4 R

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    5-(4-Cyano-5-dicyano­methyl­ene-2,2-dimethyl-2,5-dihydro-3-fur­yl)-3-(1-methyl-1,4-dihydro­pyridin-4-yl­idene)pent-4-enyl 3,5-bis­(benz­yloxy)benzoate acetonitrile 0.25-solvate: a synchrotron radiation study

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    The title compound, C42H36N4O5·0.25CH3CN, crystallizes with a partial twofold disordered (1/4) acetonitrile solvent of crystallization. The linking atoms to the 3,5-bis­(benz­yloxy)benzoic acid are disordered between two conformations in the ratio 0.780 (6):0.220 (6). In the crystal, the mol­ecules pack using mainly C—H⋯N(cyano) inter­actions coupled with weak C—H⋯O(ether) inter­actions and C—H⋯π inter­actions. A brief comparison is made between a conventional and this synchrotron data collection

    Bis[4-(dimethyl­amino)phen­yl]diazene oxide

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    The asymmetric unit of the title compound, C16H20N4O, contains six independent approximately planar mol­ecules and is best described as a commensurate modulation of a P21/c parent. Two sets of disordered mol­ecules share almost the same locations (related by an in-plane translation), ensuring that the c-glide plane condition is not attained. C—H⋯O inter­actions provide structural cohesion. The site occupancy factors of the disordered molecules are ca 0.72/0.28 and 0.67/0.33

    2-(4-{3-[1-(3-Bromo­prop­yl)-3,3-dimethyl-2,3-dihydro-1H-indol-2-yl­idene]prop-1-en­yl}-3-cyano-5,5-dimethyl-2,5-dihydro­furan-2-yl­idene)malononitrile

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    The backbone of the title mol­ecule, C26H25BrN4O, is approximately planar: the dihedral angle between the planes of the indoline ring system and the furan ring is 7.68 (14)°. In the crystal, layers lying parallel to (10) occur, with the mol­ecules inter­acting via weak C—H⋯N(cyano) and C—H⋯Br bonds and short N(cyano)⋯Br contacts [3.345 (4) Å]
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