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Article
Synthesis, crystal structures, and DFT calculations: novel Mn(II), Co(II) and Ni(II) complexes of N-(pyridin-2-ylmethylene)methanamine with isothiocyanate as promising optical materials
To investigate the optical parameters, novel metal complexes of N-(pyridin-2-ylmethylene)methanamine (L1), obtained as Schiff base by the condensation reaction of 2-pyridinecarboxaldehyde with methylamine, and is...
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Article
Chemical Synthesis, X-ray Crystallography, Hirshfeld Surface Analysis, and Molecular Docking Studies of (E)-2-(((3-Bromophenyl)imino)methyl)-5-(diethylamino)phenol Schiff Base
The title Schiff base compound (I), C17H19BrN2O, has been synthesized by the reaction of 4-(diethylamino)-2-hydroxybenzaldehyde and 3-bromoaniline. The dihedral angle between the two-phenyl ring system is 35.8(3)...
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Article
Crystallographic, spectroscopic, thermal, optical investigations and density functional theory calculations for novel Co(II) and Mn(II) complexes
Two new picolinate complexes, namely diaquabis(6-chloropyridine-2-carboxylato-N,O)cobalt(II) (1) and diaquabis(6-chloropyridine-2-carboxylato-N,O)manganese(II) (2) were synthesized. These complexes were all chara...
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Article
Crystal structure and computational studies of (E)-1-(benzo[b]thiophen-3-yl)-N-(4-ethoxyphenyl)methanimine
The title compound, C17H15NOS, crystallizes in the orthorhombic sp. gr. Pca21. Two molecules in the asymmetric unit have similar structure. Crystal structure contains weak C–H···O intermolecular and C–H···N intra...
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Article
Crystal and Molecular Structure of N-(Phenylthio)phthalimide
The title compound N-(Phenylthio)phthalimide has been synthesized and characterized by FT-IR, NMR, and X-ray single-crystal determination. The compound crystallizes in the triclinic sp. gr.
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Article
Crystal and Molecular Structure of 3,5-Diphenyl-4,5-dihydro-2-phenylcarboxamide-1H-pyrazole
Crystal structure of the title compound C22H19N3O is determined by single crystal X-ray diffraction (sp. gr. P21/c, Z = 4). The molecule as a whole, is not planar: phenyl cycles are rotated relative to the plane ...
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Article
Molecular and crystal structure of 2-{(E)-[(4-Methylphenyl)imino]methyl}-4-nitrophenol: A redetermination
The crystal structure of the title compound, C14H12N2O3, was recently determined as a mixture of its neutral (OH containing) and zwitterionic (NH containing) forms, in a 0.60 (4): 0.40 (4) ratio using the X-ray d...