82 research outputs found
catena-Poly[sodium(I)-μ-tetrabutoxyborato]
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)
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
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
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
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
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
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
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
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
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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