Chapter 3: Crystal Structure 3.

The title compound, C20H16Cl2N2O3 (systematic name: 2-{[4-(2,4-di-chloro-benzo-yl)-1,3-di-methyl-pyrazol-5-yl}-oxy}-1-phenyl-ethan-1-one), is the benzoyl-pyrazole herbicide pyrazoxyfen. The asymmetric unit comprises two independent mol-ecules, A and B, in which the pyrazole ring makes dihedral angles of 80.29 (10) and 61.70 (10)° and 87.60 (10) and 63.92 (8)°, respectively, with the di-chloro-p...

° Gotzenite is a silicate of Ti, Ca, and Na; its unit cell parameters are: a = 9.667 A, b = 5.731 A, c = 7.334 A, O! = 90°, f3 = 101.05°, l' = 101.31°, space group Pl. The x-ray structure analysis has been carried out on a twinned crystal. The crystal structure of gotzenite is similar to that of rosenbuschite and seidozerite. The relations among these silicates are discussed and the structural ...

The title compound, C16H14F5N5O5S [systematic name: 2-(2,2-di-fluoro-eth-oxy)-N-(5,8-dimeth-oxy-1,2,4-triazolo[1,5-c]pyrimidin-2-yl)-6-(tri-fluoro-meth-yl)benzene-sulfonamide], is used as a herbicide. The asymmetric unit of this structure comprises two independent mol-ecules, A and B. The dihedral angles between the ring planes of the triazolo-pyrimidine ring systems and the benzene rings are 6...

In the title compound, C19H17ClN4 [systematic name: (RS)-4-(4-chloro-phen-yl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmeth-yl)butyro-nitrile], which is the conazole fungicide fenbuconazole, the dihedral angles between the planes of the central benzene and the terminal chloro-phenyl and triazole rings are 32.77 (5) and 32.97 (5)°, respectively. The C-C-C-C linkage between the tertiary C atom and the be...

Black granular single crystals of monotitanium dibismuth, TiBi2, were synthesized by slow cooling of a mixture of Bi and Ti from 693 K. The title compound is isostructural with CuMg2 (ortho-rhom-bic Fddd symmetry). Ti atoms are located in square anti-prisms of Bi atoms. The network of one type of Bi atom spirals along the a-axis direction while honeycomb layers of the other type of Bi atom spre...

3 Wallpaper groups 8 3.1 A few new concepts for Wallpaper Groups . . . . . . . . . . . . . . . . . . . . . . . 8 3.2 Lattices and the “translation set” . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9 3.3 Bravais lattices in 2D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9 3.3.1 Oblique system . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . ....

The title compound, C19H17BF3P {alternative name: triphen-yl[(tri-fluoro-boran-yl)meth-yl]phosphanium}, was formed by the reaction of tri-phenyl-phosphine with potassium iodo-methyl-tri-fluoro-borate. The mol-ecule features a nearly staggered conformation along the P-C bond and a less than staggered conformation along the C-B bond. In the crystal, weak C-H⋯F hydrogen bonds between the meta-phen...

In the title compound, C16H20Si, a geometry different from an ideal tetra-hedron can be observed at the Si atom. The bonds from Si to the benzylic C atoms [Si-C = 1.884 (1) and 1.883 (1) Å] are slightly elongated compared to the Si-Cmeth-yl bonds [Si-C = 1.856 (1) and 1.853 (1) Å]. The Cbenz-yl-Si-Cbenz-yl bond angle [C-Si-C = 107.60 (6)°] is decreased from the ideal tetra-hedral angle by 1.9°....

The ternary chloride Na3MoCl6 is obtained as red crystals from a disproportionation reaction of molybdenum dichloride, {Mo6}Cl12, in an acidic NaCl/AlCl3 melt at 350°C. The crystal structure (trigonal, P-31c, a = 687.1(1), c = 1225.3(2) pm, Z = 2, V = 501,0(1) 10 pm) is that of Na3CrCl6: within a hexagonal closest-packing of chloride ions two thirds of the octahedral voids are filled between th...