Showing papers in "Zeitschrift Fur Kristallographie-new Crystal Structures in 2021"

Synthesis and crystal structure of 2-azido-N-phenylacetamide, C8H8N4O

Abstract: Abstract C8H8N4O, orthorhombic, P212121 (no. 19), a = 5.8085(13) Å, b = 16.533(4) Å, c = 18.171(4) Å, V = 1745.0(7) Å3, Z = 8, Rgt(F) = 0.0399, wRref(F2) = 0.1078, T = 296(2) K.

Crystal structure of (E)-2-(4-fluoro-3-(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2

Abstract: Abstract C19H14F4O2${\\text{C}}_{19}{\\text{H}}_{14}{\\text{F}}_{4}{\\text{O}}_{2}$, triclinic, P1‾$P‾{1}$ (no. 2), a = 8.1539(7) Å, b = 8.8584(6) Å, c = 11.8025(9) Å, α = 73.186(7)°, β = 76.184(7)°, γ = 69.512(7)°, V = 755.39(11) Å3, Z = 2, Rgt${R}_{gt}$(F) = 0.0436, wRref$w{R}_{\\text{ref}}$(F2) = 0.0965, T = 100 K.

Crystal structure of (E)-2-(4-fluoro-2-(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2

Abstract: Abstract C19H14F4O2, monoclinic, C2/c (no. 15), a = 17.1519(13) Å, b = 13.9810(8) Å, c = 15.2299(9) Å, β = 123.031(7)°, V = 3061.9(4) Å3, Z = 8, Rgt(F) = 0.0410, wRref(F2) = 0.1010, T = 100(1) K.

The crystal structure of fac-tricarbonyl(4,4-dimethyl-2,2-dipyridyl-κ2N,N′)- (pyrazole-κN)rhenium(I) nitrate, C18H16O3N4Re

Abstract: Abstract C18H16O3N4Re, monoclinic, P21/c (no. 14), a = 9.8409(6) Å, b = 14.0933(9) Å, c = 13.9153(9) Å, β = 90.558(2)°, V = 1929.8(2) Å3, Z = 4, Rgt(F) = 0.0266, wRref(F2) = 0.0584, T = 100(2) K.

Crystal structure of (E)-2-(3,5-bis(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen- 1(2H)-one, C20H14F6O2

Abstract: Abstract C20H14F6O2${\text{C}}_{20}{\text{H}}_{14}{\text{F}}_{6}{\text{O}}_{2}$, monoclinic, P21/c (no. 14), a = 14.791(2) Å, b = 8.5303(9) Å, c = 15.531(3) Å, β = 115.474(19)°, V = 1769.1(5) Å3, Z = 4, Rgt${R}_{gt}$(F) = 0.0574, w Rref$w\,{R}_{\text{ref}}$(F2) = 0.1451, T = 100 K. CCDC no.: 2016723

Synthesis and crystal structure of 1-octyl-3-phenylquinoxalin-2(1H)-one, C22H26N2O

Abstract: Abstract C22H26N2O, monoclinic, C2/c (no. 15), a = 47.4887(9) Å, b = 5.0220(1) Å, c = 16.4551(3) Å, β = 108.993(1)°, V = 3710.70(12) Å3, Z = 8, Rgt(F) = 0.0345, wRref(F2) = 0.0935, T = 150(2) K. CCDC Nr.: 2025941

Crystal structure of 3,3′-(1,2-phenylene-bis(methylene))bis(1-vinyl- 1H-imidazol-3-ium) bis(hexafluoro phosphate)(V), C18H20F12N4P2

Abstract: Abstract C18H20F12N4P2, monoclinic, P21/n (no. 14), a = 8.3185(9) Å, b = 21.883(2) Å, c = 13.4345(15) Å, β = 103.4730(10)°, V = 2378.3(5) Å3, Z = 4, Rgt(F) = 0.0470, wRref(F2) = 0.1305, T = 296(2) K.

Crystal structure of 1,4-bis(methylpyridinium benzene) bis(1,2-dicyanoethene-1,2-dithiolato-κ2S:S)nickel(II), C26H18N6NiS4

Abstract: Abstract C26H18N6NiS4, triclinic, P1¯$\\overline{1}$ (no. 2), a = 8.2947(4) Å, b = 8.9964(5) Å, c = 9.4210(5) Å, α = 70.988(1)°, β = 79.971(1)°, γ = 82.567(1)°, V = 652.52(6) Å3, Z = 1, Rgt(F) = 0.0340, wRref(F2) = 0.0643, T = 296(2) K.

Crystal structure of catena-poly[triqua-bis(μ2-4-carboxy-2-(1H-tetrazol-1-yl)-1H-imidazole-5-carboxylato-k3N,O:O′)barium(II)] tetrahydrate, C14H14BaN12O15

Abstract: Abstract C14H14BaN12O15, monoclinic, C2/c (no. 15), a = 21.787(4) Å, b = 6.7594(11) Å, c = 18.143(3) Å, β = 102.456(2)°, V = 2609.0(8) Å3, Z = 4, Rgt(F) = 0.0209, wRref(F2) = 0.0567, T = 296(2) K.

The crystal structure of 3-chloropropionic acid, C3H5ClO2

Abstract: Abstract C3H5ClO2, monoclinic, P21/c (no. 14), a = 5.2011(4) Å, b = 7.4362(4) Å, c = 24.1175(15) Å, β = 94.594(3)°, V = 929.78(10) Å3, Z = 8, Rgt(F) = 0.0333, wRref(F2) = 0.0795, T = 200 K.