7,315 research outputs found

    4-[(E)-(4-Diethyl­amino-2-hy­droxy­benzyl­idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one

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    In the title compound, C22H26N4O2, the phenyl ring and hy­droxy­benzene group are twisted with respect to the central pyrazolone ring, making dihedral angles of 54.05 (5) and 21.80 (6)°, respectively. One of the ethyl groups is disordered over two positions with site occupancies of 0.872 (6) and 0.128 (6). The mol­ecular structure features short intra­molecular O—H⋯N and C—H⋯O contacts. The crystal packing exhibits weak inter­molecular C—H⋯O and C—H⋯π inter­actions

    2,4-Diiodo-6-{[4-(morpholin-4-yl)phenyl]iminomethyl}phenol

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    In the title compound, C17H16I2N2O2, the two aromatic rings are almost coplanar [dihedral angle 2.57 (15)°]. The morpholine ring adopts a chair conformation. The mol­ecular structure is stabilized by an O—H⋯N hydrogen bond and the crystal packing exhibits weak inter­molecular C—H⋯O and π–π [centroid-to-centroid distances 3.663 (3)-4.073 (3) Å] inter­actions

    5-Meth­oxy-2-{[4-(morpholin-4-yl)phen­yl]imino­meth­yl}phenol

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    In the title compound, C18H20N2O3, the dihedral angle between the two aromatic rings is 33.66 (6)°. The morpholine ring adopts a chair conformation. The mol­ecular structure is stabilized by an intra­molecular O—H⋯N hydrogen bond. In the crystal, mol­ecules are linked via weak inter­molecular C—H⋯O and C—H⋯π inter­actions

    (2-Benzoyl­phen­yl)(2-meth­oxy-1-naphth­yl)methanone

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    In the title compound C25H18O3, the central benzene ring forms dihedral angles of 87.4 (5) and 85.4 (4)° with the phenyl ring and the naphthalene ring system, respectively. The carbonyl O atoms deviate significantly from the phenyl ring and the meth­oxy-substituted naphthalene ring system [by 0.508 (1) and 0.821 (1) Å, respectively]. The crystal packing is stabilized by C—H⋯O hydrogen bonds, which generate C(6) chains, and C—H⋯π inter­actions

    NaV2O4: a Quasi-1D Metallic Antiferromagnet with Half-Metallic Chains

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    NaV2O4 crystals were grown under high pressure using a NaCl flux, and the crystals were characterized with X-ray diffraction, electrical resistivity, heat capacity, and magnetization. The structure of NaV2O4 consists of double chains of edge-sharing VO6 octahedra. The resistivity is highly anisotropic, with the resistivity perpendicular to the chains more than 20 times greater than that parallel to the chains. Magnetically, the intrachain interactions are ferromagnetic and the interchain interactions are antiferromagnetic; 3D antiferromagnetic order is established at 140 K. First principles electronic structure calculations indicate that the chains are half metallic. Interestingly, the case of NaV2O4 seems to be a quasi-1D analogue of what was found for half-metallic materials.Comment: 14 pages, including 4 figures and 1 table, accepted for publication in PR

    (E)-N′-(3-Bromo-5-chloro-2-hy­droxy­benzyl­idene)nicotinohydrazide

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    There are two independent mol­ecules in the asymmetric unit of the title compound, C13H9BrClN3O2, in which the dihedral angles between the benzene and pyridine rings are 8.23 (9)° and 52.84 (12)°. Both the mol­ecules exist in an E configuration with respect to the C=N double bond. The two mol­ecules in the asymmetric unit are linked via weak C—H⋯O hydrogen bonds. In both the mol­ecules, an intra­molecular O—H⋯N hydrogen bond generate an S(6) graph-set motif. In the crystal, inter­molecular N—H⋯O and C—H⋯O hydrogen bonds generate bifurcated R 1 2(7) ring motifs. The crystal packing is further stabilized by weak inter­molecular N—H⋯O, N—H⋯N, C—H⋯O and π–π [centroid–centroid distance 3.615 (2) Å] inter­actions

    [2-(2-Meth­oxy-1-naphtho­yl)phen­yl](1-naphth­yl)methanone

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    The title compound, C29H20O3, adopts an ‘S’ conformation with a dihedral angle of 68.5 (2)° beween the two acetone planes. The central phenyl ring forms dihedral angles of 83.8 (4) and 84.5 (4)° with the naphthalene and meth­oxy-substituted naphthalene mean planes, respectively. Both carbonyl-group O atoms deviate significantly from the naphthalene moiety and the meth­oxy-substituted naphthalene moiety [0.574 (1) and −1.053 (1) Å, respectively]. The crystal packing is stabilized by C—H⋯O inter­molecular inter­actions, generating C(7) chain and R 2 2(10) graph-set motifs

    1-Methyl-3-(2-methyl­phen­yl)-3,3a,4,9b-tetra­hydro-1H-chromeno[4,3-c][1,2]oxazole-3a-carbonitrile

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    In the title compound, C19H18N2O2, the five-membered isoxazole ring adopts an envelope conformation and the deviation of the N atom from the mean plane of the isoxazole ring is −0.3256 (11) Å. The pyran ring adopts a half-chair conformation. The isoxazole ring forms dihedral angles of 44.07 (7) and 84.23 (7)° with the pyran and methyl­benzene rings, respectively. The mol­ecular structure is stabilized by weak C—H⋯π inter­actions

    N-[(E)-Quinoxalin-2-ylmethyl­idene]-1H-indazol-5-amine

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    In the title mol­ecule, C16H11N5, the mean planes of the quinoxaline and indazole fragments form a dihedral angle of 10.62 (5)°. In the crystal, weak inter­molecular N—H⋯N hydrogen bonds link the mol­ecules into zigzag chains extending in the [001] direction. The crystal packing also exhibits π–π inter­actions [centroid–centroid distances of 3.7080 (2) and 3.8220 (5) Å], which form stacks of the mol­ecules parallel to the a axis
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