Showing papers in "Zeitschrift Fur Kristallographie-new Crystal Structures in 2018"

Crystal structure of 4-((E)-((E)-5-(2-fluorobenzylidene)-1-((4-fluorophenyl)sulfonyl)-4-oxopiperidin-3-ylidene)methyl)benzonitrile, C26H18F2N2O3S

Abstract: Abstract C26H18F2N2O3S, monoclinic, P21/c (no. 14), a = 8.412(3) Å, b = 22.056(8) Å, c = 12.125(4) Å, β = 102.316(5)°, V = 2198.0(14) Å3, Z = 4, Rgt(F) = 0.0475, wRref(F2) = 0.1156, T = 173(2) K.

Crystal structure of (Z)-2-bromo-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-phenylprop-2-en-1-one, C23H27BrO2

Abstract: Abstract C23H27BrO2, P21/n (no. 14), a = 10.3200(18) Å, b = 15.905(3)(6) Å, c = 12.913(2) Å, β = 97.683(4), V = 2100.6(6) Å3, Z = 4, Rgt(F) = 0.0319, wRref(F2) = 0.0872, T = 296(2) K.

Crystal structure of bis{2-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O}zinc(II), C32H30N4O4Zn

Abstract: Abstract C32H30N4O4Zn, triclinic, P1̅ (no. 2), a = 8.6632(8) Å, b = 12.7133(10) Å, c = 14.2719(12) Å, α = 98.585(3)°, β = 94.985(3)°, γ = 92.916(3)°, Z = 2, V = 1545.1(2) Å3, Rgt(F) = 0.0714, wRref(F2) = 0.1740, T = 296(2) K.

Crystal structure of (E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-phenylprop-2-en-1-one, C23H28O2

Abstract: Abstract C23H28O2, monoclinic, P21/n (no. 14), a = 8.9114(3) Å, b = 17.7151(6) Å, c = 12.6087(5) Å, β = 100.0520(10), V = 1959.93(12) Å3, Z = 4, Rgt(F) = 0.061, wRref(F2) = 0.171, T = 296(2) K.

Crystal structure of caffeinium triiodide – caffeine (1/1), C16H21I3N8O4

Abstract: Abstract C16H21I3N8O4, monoclinic, P21/n (no. 14), a = 14.7257(7) Å, b = 10.5712(5) Å, c = 16.7501(8) Å, β = 114.408(2)°, V = 2374.4(2) Å3, Z = 4, Rgt(F) = 0.0254, wRref(F2) = 0.0760, T = 290(2) K.

Crystal structure of (E)-3′,6′-bis(ethylamino)-2′,7′-dimethyl-2-((pyridin-2-ylmethylene)amino)spiro[isoindoline-1,9′-xanthen]-3-one, C32H31N5O2

Abstract: Abstract C32H31N5O2, triclinic, P1̄ (no. 2), a = 9.9226(4) Å, b = 11.1446(7) Å, c = 12.6719(6) Å, α = 90.693(4)°, β = 109.858(4)°, γ = 95.382(4)°, Z = 2, V = 1310.72(12) Å3, Rgt(F) = 0.0497, wRref(F2) = 0.1419, T = 173(10) K.

Crystal structure of (20R)-20,25-epoxy-dammaran-3,12-dione, C30H48O3

Abstract: Abstract C30H48O3, orthorhombic, P212121 (no. 19), a = 7.8710(16) Å, b = 13.800(28) Å, c = 24.561(49) Å, V = 2667.9(9) Å3, Z = 4. Rgt(F) = 0.0488, wRref(F2) = 0.1264, T = 293(2) K.

The crystal structure of N,N-diethyl-4,6-bis(naphthalen-2-yloxy)-1,3,5-triazin-2-amine, C27H24N4O2

Abstract: Abstract C27H24N4O2 monoclinic, P21/c (no. 14), a = 5.8073(2) Å, b = 31.2564(9) Å, c = 24.8105(8) Å, β = 90.13°, V = 4503.5(2) Å3, Z = 8, Rgt(F) = 0.0644, wRref(F2) = 0.1854, T = 150(2) K.

Crystal structure of dichlorido bis[1-[(2-methyl-1H-benzoimidazol-1-yl)methyl]-1H-benzotriazole-κ1N]cadmium(II), C30H26CdCl2N10

Abstract: Abstract [Cd(C15H13N5)2Cl2], monoclinic, C2/c (no. 15), a = 15.6291(6) Å, b = 12.8859(4) Å, c = 14.7622(5) Å, β = 97.781(3)°, V = 2945.65(18) Å3, Z = 4, Rgt(F) = 0.0381, ωRref(F2) = 0.0738, T = 293(2) K.

Structure and photochromism of 1,2-bis[2-methyl-5-(3-quinolyl)-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, C33H20F6N2S2

Abstract: Abstract C33H20F6N2S2, monoclinic, P21/c (no. 14), a = 13.418(4) Å, b = 13.876(4) Å, c = 15.182(4) Å, β = 98.211(3)°, V = 2797.6(14) Å3, Z = 4, Rgt(F) = 0.0500, wRref(F2) = 0.1456, T = 296(2) K.

Crystal structure of (η6-1-isopropyl-4-methyl benzene)-(N-(2,5-dichlorophenyl)-1-(pyridin-2-yl)methanimine-κ2N,N′)ruthenium(II) perchlorate, C22H22Cl4N2O4Ru

Abstract: Abstract C22H22Cl4N2O4Ru, monoclinic, P21/c (no. 14), a = 15.0181(3) Å, b = 10.3983(2) Å, c = 16.6496(3) Å, β = 112.459(1)°, V = 2402.84(8) Å3, Z = 4, Rgt(F) = 0.0180, wRref(F2) = 0.0474, T = 173(2) K.

Crystal structure of catena-poly[(μ3-5-carboxy-2-(pyridin-4-yl)benzoato-κ5O,O′:O′′,O′′′:O′′′)(1,10-phenanthroline-κ2N,N′)cadmium(II)], C100H60N12O16Cd4

Abstract: Abstract C100H60N12O16Cd4, monoclinic, I2/a (no. 15), a = 21.2654(5) Å, b = 11.1493(3) Å, c = 17.3039(4) Å, β = 97.774(2)°, V = 4064.96(18) Å3, Z = 2, Rgt(F) = 0.0213, wRref(F2) = 0.0559, T = 289.23(10) K.

Crystal structure of N-(2-methylphenyl)ethoxycarbothioamide, C10H13NOS

Abstract: Abstract C10H13NOS, triclinic, P1̅ (no. 2), a = 7.2099(5) Å, b = 9.9751(6) Å, c = 15.0463(9) Å, α = 80.560(5)°, β = 81.827(5)°, γ = 73.887(6)°, V = 1020.19(12) Å3, Z = 4, Rgt(F) = 0.055, wRref(F2) = 0.186, T = 100 K.

Crystal structure of diethyl 3,9-diphenyl-6,12-bis(3-methoxyphenyl)-3,9-diazahexacyclo[6.4.0.02,7.04,11.05,10]dodecane-1,11-dicarboxylate, C42H42N2O6

Abstract: Abstract C42H42N2O6, monoclinic, P21/c (no. 14), a = 6.9848(14) Å, b = 20.816(4) Å, c = 11.543(2) Å, β = 99.745(5)°, V = 1654.1(6) Å3, Z = 2, Rgt(F) = 0.0377, wRref(F2) = 0.1019, T = 113(2) K.

Crystal structure of rac-trans-N,N′-bis(3,5-dibromosalicylidene)-1,2-cyclohexanediamine, C20H18Br4N2O2

Abstract: Abstract C20H18I4N2O2, monoclinic, P21/c (no. 14), a = 15.8722(9) Å, b = 9.5990(5) Å, c = 16.8433(8) Å, V = 2421.2(2) Å3, Z = 4; Rgt(F) = 0.0387, wRref(F2) = 0.0754, T = 293 K.

Crystal structure of poly-{diaqua-bis[(μ2-3-nitrobenzenesulfonylglycine-κ3N:O:O′)(4,4′-bipyridine)manganese(II)]}-dimethylformamide (1/1), C39H35Mn2N9O15S2

Abstract: Abstract C39H35Mn2N9O15S2, orthorhombic, Pna21 (no. 33), a = 17.2427(6) Å, b = 11.7453(3) Å, c = 21.1828(7) Å, V = 4290.0(2) Å3, Z = 4, Rgt(F) = 0.0366, wRref(F2) = 0.0960, T = 293(2) K.

Crystal structure of (Z)-2-(4-chlorophenyl)-4-(furan-2-yl(phenylamino)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one, C21H16ClN3O2

Abstract: Abstract C21H16ClN3O2, monoclinic, C2/c (no. 15), a = 19.0523(19) Å, b = 9.3818(8) Å, c = 21.0602(17) Å, β = 107.303(10)°, V = 3594.0(6) Å3, Z = 8, Rgt(F) = 0.0644, wRref(F2) = 0.1655, T = 173(1) K.

Crystal structure of dimethyl 3,9-dibenzyl-6,12-dicyclohexyl-3,9-diazahexacyclo [6.4.0.02,7.04,11.05,10]-dodecane-1,11-dicarboxylate, C40H50N2O4

Abstract: Abstract C40H50N2O4, monoclinic, P21/c (no. 14), a = 10.355(2) Å, b = 17.809(4) Å, c = 8.9354(16) Å, β = 97.101(4)°, V = 1635.2(5) Å3, Z = 2, Rgt(F) = 0.0453, wRref(F2) = 0.1270, T = 113 K.

The crystal structure of N-butylpyridinium bis(μ2-dichlorido)-tetrachloridodicopper(II), C18H28N2Cu2Cl6

Abstract: C₉H₁₄Cl₃CuN, monoclinic, P2₁/n (no. 14), a = 9.6625(6) A, b = 9.3486(3) A, c = 14.1168(8) A, β = 102.288(5)°, V = 1245.97(11) A³, Z = 4, Rgₜ(F) = 0.0182, wRᵣₑf(F²) = 0.0499, T = 210(2) K.

Crystal structure of catena-poly[diiodido-(μ2-1,5-dimethyl-2-phenyl-4-((pyridin-3-ylmethylene)amino)-1,2-dihydro-3H-pyrazol-3-one-κ2N:O)zinc(II)], C17H16I2N4OZn

Abstract: Abstract C17H16I2N4OZn, monoclinic, P21/c (no. 14), a = 8.8359(15) Å, b = 15.585(3) Å, c = 15.163(3) Å, β = 95.534(3)°, V = 2078.4(6) Å3, Z = 4, Rgt(F) = 0.0364, wRref(F2) = 0.1265, T = 298(2) K.

Synthesis and crystal structure of (E)-1-(4-(((E)-5-chloro-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C16H15ClN2O2

Abstract: Abstract C16H15ClN2O2, monoclinic, P21/c (no. 14), a = 33.491(11) Å, b = 7.124(2) Å, c = 6.1977(19) Å, β = 92.212(6)°, V = 1477.6(8) Å3, Z = 4, Rgt(F) = 0.0418, wRref(F2) = 0.1193, T = 296(2) K.

Structure and photochromism of 1-[2-methyl-5-phenyl-3-thienyl]-2-[2-methyl-5-(4-chlorophenyl)-3-thienyl]3,3,4,4,5,5-hexafluorocyclopent-1-ene, C27H16ClF6S2

Abstract: Abstract C27H16ClF6S2, monclinic, P21/c (no. 14), a = 24.1193(5) Å, b = 9.2419(2) Å, c = 10.8343(2) Å, β = 96.1260(10)°, V = 2401.26(8) Å3, Z = 4, Rgt(F) = 0.0292, wRref(F2) = 0.0878, T = 100(2) K.

Crystal structure of bis{catena-poly[(μ2-1,2-bis(4-pyridyl)ethane-κ2N:N′)silver(I)]} diaqua-bis(5-(4-carboxyphenyl)pyridine-2-carboxylato-κ2N,O)-(μ2-1,2-bis(4-pyridyl)ethane-κ2N:N′)disilver(I) octahydrate, C31H35Ag2N4O9

Abstract: Abstract C31H35Ag2N4O9, triclinic, P1̄ (No. 2), a = 8.8351(5) Å, b = 13.1492(6) Å, c = 14.7094(8) Å, V = 1618.76(15) Å3, α = 85.491(4) Å, β = 84.285(5) Å, γ = 72.413(4) Å, Z = 2, Rgt(F) = 0.0382, wRref(F2) = 0.0796, T = 293(2) K.

The crystal structure of (E)-4-chloro-2-(((5-methylpyridin-2-yl)imino)methyl)phenol, C13H11ClN2O

Abstract: Abstract C13H11ClN2O, monoclinic, P21/n (no. 14), a = 13.997(5) Å, b = 4.6734(15) Å, c = 18.019(7) Å, β = 102.714(5)°, V = 1149.7(7) Å3, Z = 4, Rgt(F) = 0.0481, wRref(F2) = 0.1141, T = 153(2) K.

Crystal structure of [4-chloro-2-(((2-((3-ethoxy-2-oxidobenzylidene)amino)phenyl)imino)(phenyl)methyl)phenolato-κ4N,N′,O,O′}nickel(II) - ethyl acetate (1/1), C32H29ClN2NiO5

Abstract: Abstract C32H29ClN2NiO5, triclinic, P1̄ (no. 2), a = 9.7657(5) Å, b = 10.1262(6) Å, c = 16.0745(9) Å, α = 83.025(2)°, β = 77.437(2)°, γ = 66.240(2)°, V = 1419.02(14) Å3, Z = 2, Rgt(F) = 0.0403, wRref(F2) = 0.0908, T = 293(2) K.

Crystal structure of 2-(4-chlorophenyl)-3-phenyl-1,8-naphthyridine, C20H13N2Cl

Abstract: Abstract C20H13N2Cl, monoclinic, P21/n (no. 14), a = 6.179(4) Å, b = 11.666(8) Å, c = 22.460(15) Å, β = 95.837°, V = 1610.6(19) Å3, Z = 4, Rgt(F) = 0.0507, wRref(F2) = 0.1599, T = 296(2) K.

Crystal structure of poly[diaqua-bis(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole-κ2N:N′)manganese(II)]bis(2-carboxybenzoate) dihydrate, MnC40H40N10O12

Abstract: Abstract MnC40H40N10O12, monoclinic, P21/c (no. 14), a = 8.252(6) Å, b = 18.144(10) Å, c = 13.580(8) Å, β = 97.61(3)°, V = 2015(2) Å3, Z = 2, Rgt(F) = 0.0390, wRref(F2) = 0.1027, T = 120 K.

Crystal structure of bis{5-methoxy-2-(((2-oxo-2H-chromen-6-yl)imino)methyl)phenolato-κ2N,O}zinc(II), C34H24N2O8Zn

Abstract: Abstract C34H24N2O8Zn, triclinic, P1̅ (no. 2), a = 9.1202(6) Å, b = 12.2985(8) Å, c = 12.9973(9) Å, α = 83.799(2)°, β = 76.063(2)°, γ = 81.385(2)°, Z = 2, V = 1395.02(16) Å3, Rgt(F) = 0.0292, wRref(F2) = 0.0691, T = 296(2) K.

Crystal structure of (4-(4-chlorophenyl)-5-ethyl-1,3-dioxane-5-carboxylato-κ2O,O′)-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′)nickel(II) perchlorate monohydrate, C29H52Cl2N4NiO9

Abstract: Abstract C29H52Cl2N4NiO9, monoclinic, P21/n (no. 14), a =10.8347(19) Å, b = 14.502(3) Å, c = 21.731(4) Å, β = 93.344(2)°, V = 3408.6(10) Å3, Z = 4, Rgt(F) = 0.0360, wRref(F2) = 0.1009, T = 296(2) K.

Crystal structure of catena-poly[(2-(5-chloroquinolin-8-yloxy)-1-(pyrrolidin-1-yl)ethan-1-one-κ3N,O,O′)-(dinitrato-κ2O,O′)mercury(II)], C15H15N4O8ClHg

Abstract: Abstract C15H15N4O8ClHg, monoclinic, P21/n (no. 14), a = 10.660(8) Å, b = 9.523(8) Å, c = 18.275(15) Å, β = 99.248(12)°, V = 1831(2) Å3, Z = 4, Rgt(F) = 0.0267, wRref(F2) = 0.0696, T = 296(2) K.