ABSTRACT
In the title compound, C18H16N2O2, the phenyl and pyrazole rings subtend a dihedral angle of 22.68â (8)°. The packing of the title compound features aromatic π-π stacking and weak C-Hâ¯π inter-actions.
ABSTRACT
In the title compound, C28H22FN3OS, four rings are almost coplanar, with the fluorophenyl ring substantially twisted. In the extended structure, aromatic π-π stacking inter-actions between the pyrazole ring and the tolyl ring link the mol-ecules into centrosymmetric dimers.
ABSTRACT
The structure of the title compound, C18H13NO4, shows that the whole mol-ecule is almost planar but with a dihedral angle between the two phenyl rings of 19.22â (5)°. The mol-ecules are linked by C-Hâ¯O inter-actions, forming sheets in the (21) plane.
ABSTRACT
Two new 1-(thia-zol-2-yl)-4,5-di-hydropyrazoles have been synthesized from simple precursors, and characterized both spectroscopically and structurally. In addition, two inter-mediates in the reaction pathway have been isolated and characterized, one of them structurally. The mol-ecules of the inter-mediate (E)-1-(4-meth-oxy-phen-yl)-3-[4-(prop-2-yn-yloxy)phen-yl]prop-2-en-1-one, C19H16O3 (I), are linked by a combination of C-Hâ¯O and C-Hâ¯π(arene) hydrogen bonds to form ribbons. The products (RS)-5-(4-meth-oxy-phen-yl)-1-(4-phenythiazol-2-yl)-3-[4-(prop-2-yn--yloxy)phen-yl]-4,5-di-hydro-1H-pyrazole, C28H23N3O2S (II), and (RS)-5-(4-meth-oxy-phen-yl)-1-[4-(4-methyl-phen-yl)thia-zol-2-yl]-3-[4-(prop-2-yn-yloxy)phen-yl]-4,5-di-hydro-1H-pyrazole, C29H25N3O2S (III), are closely related - differing only by presence or absence of a methyl group at the aryl-thia-zolyl substituent - and crystallize in an isomorphous setting. Both mol-ecules contain an effectively planar di-hydro-pyrazole ring, and possess an overall T-shaped structure, which is a characteristic of triaryl-substituted 4,5-di-hydro-1-(thia-zol-2-yl)pyrazole compounds. The crystal packing is characterized by inter-molecular C-Hâ¯S and C-Hâ¯π (ar-yl/alkyne) inter-actions. A combination of two C-Hâ¯π(arene) hydrogen bonds links the product mol-ecules into sheets.
ABSTRACT
Crystal structures are reported for three amides containing N-benzo[d]thia-zole substituents. In N-(benzo[d]thia-zol-6-yl)-3-bromo-benzamide, C14H9BrN2OS, where the two ring systems are nearly parallel to one another [dihedral angle = 5.8â (2)°], the mol-ecules are linked by N-Hâ¯O and C-Hâ¯N hydrogen bonds to form ribbons of R 3 3(19) rings, which are linked into sheets by short Brâ¯Br inter-actions [3.5812â (6)â Å]. N-(6-Meth-oxy-benzo[d]thia-zol-2-yl)-2-nitro-benzamide, C15H11N3O4S, crystallizes with Z' = 2 in space group Pna21: the dihedral angles between the ring systems [46.43â (15) and 66.35â (13)°] are significantly different in the independent mol-ecules and a combination of two N-Hâ¯N and five C-Hâ¯O hydrogen bonds links the mol-ecules into a three-dimensional network. The mol-ecules of 5-cyclo-propyl-N-(6-meth-oxy-ben-zo[d]thia-zol-2-yl)-isoxazole-3-carboxamide, C15H13N3O3S, exhibit two forms of disorder, in the meth-oxy group and in the cyclo-propyl-isoxazole unit; symmetry-related pairs of mol-ecules are linked into dimers by pairwise N-Hâ¯N hydrogen bonds. Comparisons are made with the structures of some related compounds.