151 research outputs found

    cis-Aqua­chloridobis(1,10-phenanthroline-κ2 N,N′)cobalt(II) chloride 2.5-hydrate

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    In the title complex, [CoCl(C12H8N2)2(H2O)]Cl·2.5H2O, the CoII ion is coordinated by four N atoms of two bis-chelating 1,10-phenanthroline (phen) ligands, one water mol­ecule and a chloride ligand in a distorted octa­hedral environment. The dihedral angle between the two phen ligands is 84.21 (3)°. In the crystal structure, complex mol­ecules and chloride ions are linked into centrosymmetric four-component clusters by inter­molecular O—H⋯Cl hydrogen bonds. Of the 2.5 solvent water mol­ecules in the asymmetric unit, two were refined as disordered over two sites with fixed occupancies of ratios 0.50:0.50 and 0.60:0.40, while another was refined with half occupancy

    (E)-2-(2-Formyl­phen­oxy­meth­yl)-3-phenyl­prop-2-ene­nitrile

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    In the title compound, C17H13NO2, the dihedral angle between the benzene and the phenyl ring is 65.92 (7)°. The carbonitrile side chain is almost linear, the C—C—N angle being 175.55 (14)°. The crystal structure is stabilized by inter­molecular C—H⋯O inter­actions

    (2S,5S,6R)-5-(4-Methyl­phen­yl)-3-phenyl-4,8-dioxa-3-aza­tricyclo­[7.4.0.02,6]trideca-1(13),9,11-triene-6-carbonitrile

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    In the title compound, C24H20N2O2, the six-membered pyran ring adopts a half-chair conformation with one C atom deviating from the mean plane of the remaining ring atoms by 0.654 (6) Å. The five-membered isoxazole ring adopts an N-envelope conformation with the N atom displaced by 0.742 (5) Å from the mean plane formed by the remaining ring atoms. The carbonitrile side chain is almost linear, with a C—C—N angle of 178.6 (5)°. The crystal packing is stabilized by inter­molecular C—H⋯N inter­actions, through bifurcated acceptor hydrogen bonds formed between the carbonitrile N atom and two alternate C atoms in the unsubstituted benzene ring. The mol­ecular structure and crystal packing are further stabilized by intra­molecular and inter­molecular C—H⋯π inter­actions

    4-[(Dieth­oxy­phosphino­yl)meth­yl]benzoic acid

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    In the title compound, C12H17N2O5P, the phospho­nate group is almost orthogonal to both the ethyl groups, with a dihedral angle of 83.75 (11)°. In the crystal, mol­ecules are linked into centrosymmetric dimers via pairs of O—H⋯O hydrogen bonds with an R 2 2(20) graph-set motif. The crystal structure is further consolidated by weak C—H⋯π inter­actions

    (2-Benzoyl­phen­yl)(3,4-dimethyl­phen­yl)methanone

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    In the title compound, C22H18O2, the central benzene ring forms dihedral angles of 76.0 (1) and 73.1 (1)° with the phenyl ring and dimethyl-substituted benzene ring, respectively. The carbonyl-group O atoms deviate significantly from the phenyl ring and the dimethyl-substituted benzene ring [−0.582 (12) and 0.546 (12) Å, respectively]. The crystal packing is stabilized by C—H⋯π inter­actions

    [2-(4-Methylbenzoyl)phenyl](4-methylphenyl)methanone

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    The asymmetric unit of the title compound, C22H18O2, contains one half-mol­ecule, the complete mol­ecule being generated by the operation of a crystallographic twofold rotation axis. The carbonyl group and the two C atoms attached to it forms inter­planar angles of 23.67 (7)° with the methyl-substituted phenyl ring and 50.74 (8)° with the central ring. In the crystal, mol­ecules are linked into infinite chains along the b-axis direction by inter­molecular C—H⋯O inter­actions, generating R 2 2(10) graph-set motifs

    3′-Hy­droxy­methyl-1′-methyl-3′-nitro-4′-(o-tol­yl)spiro­[indoline-3,2′-pyrrolidin]-2-one

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    The title compound, C20H21N3O4, crystallizes with two mol­ecules in the asymmetric unit. In both mol­ecules, the pyrrolidine ring adopts an envelope conformation. The crystal structure is stabilized by inter­molecular C—H⋯O, N—H⋯O and O—H⋯O hydrogen bonds

    Ethyl 7-oxo-3,5-diphenyl-1,4-diazepane-2-carboxyl­ate

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    The title compound, C20H22N2O3, crystallizes with two independent mol­ecules in the asymmetric unit. In both mol­ecules, the diazepane rings adopt chair conformations. The mean planes of the diazepane rings in the two molecules form dihedral angles of 71.6 (4)/40.3 (5) and 75.9 (5)/58.6 (7)° with the neighbouring benzene rings. The carbonyl-group O atoms deviate significantly from the diazepane rings, by 0.685 (14) and 0.498 (13) Å. The eth­oxy­carbonyl groups show conformational difference between two mol­ecules, as reflected in the orientation of the carbonyl O atoms and the C—C—O—C torsion angle of −179.0 (2)° in one mol­ecule and 73.2 (2)° in the other. In one molecule there is a short N—H⋯O contact that generates an S(5) ring motif. In the crystal, N—H⋯O inter­actions generate R 2 2(8) graph-set motifs and C—H⋯O inter­actions generate R 2 2(10) and R 2 2(14) graph-set motifs. C—H⋯π inter­actions also occur

    2-[(4-Formyl­phen­yl)(hy­droxy)meth­yl]acrylonitrile

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    In the title compound, C11H9NO2, the mean planes formed by the phenyl and acryl group are almost orthogonal to each other, with a dihedral angle of 88.61 (7)°. The carbonitrile side chain is almost linear, the C—C—N angle being 179.54 (16)°. In the crystal, mol­ecules are linked by inter­molecular O—H⋯O inter­actions into infinite chains running parallel to the b axis

    (Z)-Methyl 2-[(2-eth­oxy-6-formyl­phen­oxy)meth­yl]-3-(4-ethyl­phen­yl)acrylate

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    The title compound, C22H24O5, consists of two substituted benzene rings linked by an ethyl acrylate group. The dihedral angle between the two benzene rings is 58.39 (7)°. The crystal packing is governed by two C—H⋯O inter­actions, one of which forms centrosymmetric dimers with a graph-set descriptor of R 2 2(18)
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