Search results for "Papers"
showing 10 items of 345 documents
2-Methyl-4-phenyl-3,4-dihydroquinazoline
2011
The title compound, C15H14N2, was formed during the lithiation of 2-methylquinazoline with phenyllithium followed by hydrolysis of the intermediate lithium 2-methyl-4-phenyl-4H-quinazolin-3-ide. NMR spectra as well as single-crystal X-ray structural data indicate that the reaction product to have the same structure in chloroform solution as in the crystalline state. The phenyl substituent is twisted out of the plane of the 3,4-dihydroquinazoline ring system by 86.47 (7)°. In the crystal, intermolecular N—H...N interactions connect the molecules into infinite chains.
Correlating Solution‐ and Solid‐State Structures of Conformationally Flexible Resorcinarenes: Significance of a Sulfonyl Group in Intramolecular Self…
2020
Abstract The synthesis of tetramethoxyresorcinarene podands bearing p‐toluene arms connected by ‐SO3‐ (1) and ‐CH2O‐ (2) linkers is presented herein. In the solid state, the resorcinarene podand 1 forms an intramolecular self‐inclusion complex with the pendant p‐toluene group of a podand arm, whereas the resorcinarene podand 2 does not show self‐inclusion. The conformations of the flexible resorcinarene podands in solution were investigated by variable‐temperature experiments using 1D and 2D NMR spectroscopic techniques as well as by computational methods, including a conformational search and subsequent DFT optimisation of representative structures. The 1H NMR spectra of 1 and 2 at room te…
tert-Butyl N-benzyl-N-[4-(4-fluorobenzoylmethyl)-2-pyridyl]carbamate
2008
In the crystal structure of the title compound, C25H25FN2O3, the pyridine ring makes dihedral angles of 75.1 (3), 39.4 (3) and 74.6 (3)° with the phenyl ring, the carbamate plane and the 4-fluorophenyl ring, respectively. The phenyl ring makes dihedral angles of 77.2 (3) and 23.6 (3)° with the carbamate plane and the 4-fluorophenyl ring, respectively. The 4-fluorophenyl ring is perpendicular to the carbamate plane, the dihedral angle between them being 89.5 (3)°.
tert-ButylN-(4-methyl-2-pyridyl)carbamate
2008
The crystal structure of the title compound, C11H16N2O2, contains two crystallographically independent molecules forming dimers by pairs of intermolecular N—H...N hydrogen bonds. The two molecules are related by a pseudo-twofold axis. The dihedral angle between the pyridine ring and the carbamate plane differs in the two molecules [12.1 (3) and 3.5 (3)°].
tert-Butyl N-benzyl-N-(4-methyl-2-pyridyl)carbamate
2008
In the crystal structure of the title compound, C18H22N2O2, the pyridine ring makes dihedral angles of 83.71 (6) and 9.2 (1)° with the phenyl ring and the carbamate plane, respectively. The phenyl ring and the carbamate plane are nearly perpendicular to one another, with a dihedral angle of 87.17 (7)°.
2,4-Di-tert-butyl-6-({[2-(di-methyl-amino)-eth-yl](2-hy-droxy-benz-yl)amino}-meth-yl)phenol.
2014
The title compound, C26H40N2O2, has both its N atoms in trigonal-pyramidal geometries. The molecular structure is stabilized by O—H...N and C—H...O hydrogen bonds. In the crystal, C—H...π interactions lead to the formation of a supramolecular helical chain along theb-axis direction.
1,4-Dimethyl-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5(4H)-one
2008
The title compound, C18H15N3O, is the product of the thermal decomposition of the diazonium salt derived from 2-amino-N-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide. It is characterized by a trans orientation of the methyl groups with respect to the tricyclic ring system. The molecule has a nearly planar phenylpyrazolo[3,4-c]isoquinolin-5-one system, the largest deviation from the mean plane being 0.066 (2) angstrom for the O atom. The dihedral angle between the phenyl substituent and the heterotricycle is 67 (1)degrees. The packing is stabilized by C-H center dot center dot center dot N hydrogen-bond interactions, with the formation of molecular chains along the c axis.
Synthesis and Comparative Catalytic Study of Zirconia-MnCO3or -Mn2O3for the Oxidation of Benzylic Alcohols
2016
Abstract We report on the synthesis of the zirconia–manganese carbonate ZrO x (x %)–MnCO3 catalyst (where x=1–7) that, upon calcination at 500 °C, is converted to zirconia–manganese oxide ZrO x (x %)–Mn2O3. We also present a comparative study of the catalytic performance of the both catalysts for the oxidation of benzylic alcohol to corresponding aldehydes by using molecular oxygen as the oxidizing agent. ZrO x (x %)–MnCO3 was prepared through co‐precipitation by varying the amounts of Zr(NO3)4 (w/w %) in Mn(NO3)2. The morphology, composition, and crystallinity of the as‐synthesized product and the catalysts prepared upon calcination were studied by using scanning electron microscopy, tr…
Interface Amorphization of Two‐Dimensional Black Phosphorus upon Treatment with Diazonium Salts
2021
Abstract Two‐dimensional (2D) black phosphorus (BP) represents one of the most appealing 2D materials due to its electronic, optical, and chemical properties. Many strategies have been pursued to face its environmental instability, covalent functionalization being one of the most promising. However, the extremely low functionalization degrees and the limitations in proving the nature of the covalent functionalization still represent challenges in many of these sheet architectures reported to date. Here we shine light on the structural evolution of 2D‐BP upon the addition of electrophilic diazonium salts. We demonstrated the absence of covalent functionalization in both the neutral and the r…
2,4,6-Tris(1-oxo-2-pyridylsulfanylmethyl)mesitylene methanol solvate
2008
In the title compound, C(27)H(27)N(3)O(3)S(3)·CH(4)O, the dihedral angles formed by the mesitylene ring with the three oxopyridyl rings are 89.6 (1), 75.5 (1) and 80.69 (1)°, indicating that all three are nearly perpendicular to the mesitylene ring. Intra-molecular C-H⋯S hydrogen bonds generate S(6) ring motifs. The crystal structure is stabilized by intra-molecular C-H⋯S and inter-molecular C-H⋯O hydrogen bonds and weak C-H⋯π inter-actions.