7,315 research outputs found
4-[(E)-(4-Diethylamino-2-hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
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
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
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
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
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
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
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
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
Structural analysis of the PP2C phosphatase tPphA from Thermosynechococcus elongatus: a flexible Ffap subdomain controls access to the catalytic site
N-[(E)-Quinoxalin-2-ylmethylidene]-1H-indazol-5-amine
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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