301 research outputs found

    N,N′-Bis(2-chloro­benz­yl)-N′′-(2,2,2-trichloro­acet­yl)phospho­ric triamide

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    The P atom in the title compound, C16H15Cl5N3O2P, exhibits a tetra­hedral coordination geometry and the phosphoryl and carbonyl groups are anti with respect to one another. The dihedral angle between the benzene rings is 44.90 (15)°. One of the 2-chloro­benzyl­amido fragments is disordered over two sets of sites with occupancies of 0.8823 (17) and 0.1177 (17). In the crystal, adjacent mol­ecules are linked via N—H⋯O(P) and N—H⋯O(C) hydrogen bonds into an extended chain running parallel to the a axis

    A new polymorph of dimesitylborinic acid

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    A new polymorph of dimesitylborinic acid (or hydroxy­dimesitylborane), C18H23BO, showcasing different crystal packing and symmetry, complements the previously reported polymorph [Weese, Bartlett, Murray, Olmstead & Power (1987 ▶). Inorg. Chem. 26, 2409–2413; Entwistle, Batsanov & Marder (2007 ▶). Acta Cryst. E63, o2639–o2641]. The structure of the title compound contains only one mol­ecule in the asymmetric unit, and no O—H⋯O inter­actions are observed. However, mol­ecules are linked by weak inter­molecuar O—H⋯π(arene) inter­actions to form centrosymmetric dimers

    Ranunculin

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    In the title mol­ecule {systematic name: (5S)-5-[(β-d-gluco­pyranos­yloxy)meth­yl]furan-2(5H)-one}, C11H16O8, the five-membered ring is essentially planar, the maximum deviation being 0.0151 (13) Å for the O atom. The six-membered ring adopts a chair conformation with puckering parameters Q = 0.581 (2) Å, θ = 9.0 (2)° and ϕ = 39.7 (13)°, and with all of the substituents of the glucoside unit having normal equatorial orientations. The crystal structure is stabilized by extensive O—H⋯O and C—H⋯O hydrogen bonding, resulting in a three-dimensional network

    Cyclo­hex­yl(meth­yl)ammonium {bis­[cyclo­hex­yl(meth­yl)amino]­phosphor­yl}(4-methyl­phenyl­sulfon­yl)aza­nide

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    In the anion of the title salt, C7H16N+·C21H35N3O3PS−, the P and S atoms are both in distorted tetra­hedral environments and the angles at the tertiary N atoms confirm their sp 2 character. The two S=O groups are in syn and gauche conformations with respect to the phosphoryl group. In the crystal, N—H⋯O(=S) and N—H⋯O(=P) hydrogen bonds involving two anions and two cations form a centrosymmetric four-component cluster

    4-Ethyl-3-(3-pyrid­yl)-1H-1,2,4-triazole-5(4H)-thione 0.095-hydrate

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    The title compound, C9H10N4S·0.095H2O, consists of discrete 4-ethyl-3-(3-pyrid­yl)-1H-1,2,4-triazole-5(4H)-thione mol­ecules and a disordered mol­ecule of water of hydration with partial occupancy, lying on a twofold rotation axis. The dihedral angle between the pyridine and triazole rings is 41.73 (8)°. In the crystal structure, mol­ecules are hydrogen bonded via triazole NH groups and pyridyl N atoms, forming chains parallel to the a axis

    Dichlorido(5,10,15,20-tetra­phenyl­porphyrinato-κ4 N)anti­mony(V) hemi{di-μ-chlorido-bis­[trichloridoanti­monate(III)]} dichloro­methane monosolvate

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    The asymmetric unit of the title complex, [Sb(C44H28N4)Cl2][Sb2Cl8]0.5·CH2Cl2, is composed of a SbV complex cation wherein the Sb atom is hexa­coordinated by four N atoms of the pyrrole rings of the tetra­phenyl­porphyrinate (TPP) ligands and two chloride ions, a half di-μ-chlorido-bis­[trichloridoanti­monate(III)] counter-anion and a dichloro­methane solvent mol­ecule. In the cation, the average Sb—N distance is 2.066 (2) Å, while the Sb—Cl distances are 2.3410 (11) and 2.3639 (12) Å. The central unit of the cation, SbN4C20, is far from being planar, with deviations of atoms from the least-squares plane ranging from −0.110 (4) to 0.124 (4) Å. The Sb—Cl distances in the anion, which is located about an inversion center, lie in the wide range 2.3715 (13)–2.7489 (13) Å, the longest distances being between the Sb and bridging Cl atoms. The crystal structure is stabilized by inter­molecular C—H⋯Cl inter­actions involving the cations, the anions and the solvent mol­ecules. The solvent mol­ecule is disordered over two orientations in a 0.901 (13):0.099 (13) ratio

    N-(4-Nitro­phen­yl)cinnamamide

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    In the mol­ecule of the title compound, C15H12N2O3, the dihedral angle between the rings is 3.04 (8)°. The central NOC3 fragment is planar [maximum deviation = 0.005 (3) Å] and is oriented at dihedral angles of 8.23 (8) and 7.29 (9)° with respect to the phenyl and nitro­phenyl rings, respectively. In the crystal structure, inter­molecular N—H⋯O and C—H⋯O inter­actions link the mol­ecules into a two-dimensional network. π–π contacts between rings [centroid–centroid distance = 3.719 (1) Å] may further stabilize the structure

    N-Benzyl-4-hy­droxy-2-methyl-1,1-dioxo-2H-1λ6,2-benzothia­zine-3-carboxamide

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    In the title mol­ecule, C17H16N2O4S, the heterocyclic thia­zine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.546 (4) and 0.281 (4) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The mol­ecular structure is stabilized by an intra­molecular O—H⋯O hydrogen bond. The two aromatic rings are inclined to one another by 42.32 (11)°. In the crystal, mol­ecules are linked by pairs of N—H⋯O hydrogen bonds, forming inversion dimers. The dimers are linked via a series of C—H⋯O inter­actions, leading to the formation of a three-dimensional network
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