Showing papers in "Zeitschrift Fur Kristallographie-new Crystal Structures in 2016"

Crystal structure of (E)-1-(4-(((E)-3,5-dibromo-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C17H16Br2N2O2

Abstract: Abstract C17H16Cl2N2O2, monoclinic, P21/c (no. 14), a = 9.1238(5) Å, b = 13.0575(4) Å, c = 14.3740(5) Å, β = 104.616(4)°, V = 1657.02(11) Å3, Z = 4, Rgt(F) = 0.0460, wRref(F2) = 0.1120, T = 293(2) K.

Crystal structure of 4-chloro-4′,6′-dichloro-2,2′-[propane-1,3-diyldioxybis(nitrilomethylidyne)]-diphenol, C17H14Cl3N2O4

Abstract: Abstract C17H14Cl3N2O4, orthorhombic, Fdd2, a = 32.980(2) Å, b = 24.6827(18) Å, c = 4.4872(3) Å, V = 3652.8(4) Å3, Z = 8, Rgt(F) = 0.0783, wRref(F2) = 0.1862, T = 293(2) K.

Crystal structure of N′-(4-methoxybenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide, C18H16N4O2

Abstract: Abstract C18H16N4O2, triclinic, P1̅ (no. 2), a = 10.9734(4) Å, b = 11.8835(5) Å, c = 13.0996(5) Å, α = 78.581(2)°, β = 78.542(1)°, γ = 83.725(2)°, V = 1636.68(11) Å3, Z = 4, Rgt(F) = 0.0439, wRref(F2) = 0.1182, T = 100 K.

Crystal structure of N′-(4-(dimethylamino)benzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide, C19H19N5O

Abstract: Abstract C19H19N5O, triclinic, P1̅ (no. 2), a = 11.8865(6) Å, b = 12.6289(7) Å, c = 13.5579(7) Å, α = 74.552(2)°, β = 83.174(2)°, γ = 62.534(2)°, V = 1740.56(16) Å3, Z = 4, Rgt(F) = 0.0610, wRref(F2) = 0.1713, T = 100 K.

Crystal structure of dicarbonyl(pyridin-2-olate-1-oxido-κ2O,O′)rhodium(I), C7H4NO4Rh

Abstract: Abstract C7H4NO4Rh, monoclinic, P21/c (no. 14), a = 3.5780(12) Å, b = 10.932(4) Å, c = 20.866(7) Å, β = 94.792(11)°, V = 813.3(12) Å3, Z = 4, Rgt(F) = 0.0345, wRref(F2) = 0.0712, T = 100 K.

Crystal structure of (Z)-1-(((3-acetyl-2-hydroxyphenyl)amino)methylene)naphthalen-2(1H)-one, C19H15NO3

Abstract: Abstract C19H15NO3, monoclinic, P21/n, a = 9.1811(4) Å, b = 16.0396(6) Å, c = 10.1330(5) Å, β = 98.640(5)° V = 1475.27(11) Å3, Z = 4, Rgt(F) = 0.0539, wRref(F2) = 0.1373, T = 294.29(10) K.

Crystal structure of an isomeric bis[(η5:η1-6,6-di-p-tolylpentafulvene)(η5-pentamethylcyclopentadienyl)titanium(III)]-μ2,η1:η1-dinitrogen complex, C60H66N2Ti2

Abstract: Abstract C60H66N2Ti2, triclinic, P1̅ (no. 2), a = 8.8070(3) Å, b = 11.9544(5) Å, c = 12.3447(5) Å, α = 66.7623(13)°, β = 89.0505(13)°, γ = 80.9952(13)°, V = 1178.06(8) Å3, Z = 1, Rgt(F) = 0.0426, wRref(F2) = 0.1046, T = 100(2) K.

Crystal structure of 3-methyl-2H-chromen-2-one, C10H8O2

Abstract: Abstract C10H8O2, monoclinic, P21/c (no. 14), a = 6.524(3) Å, b = 17.561(9) Å, c = 6.989(4) Å, β = 100.058(7)°, V = 788.4(7) Å3, Z = 4, Rgt(F) = 0.0418, wRref(F2) = 0.1069, T = 296(2) K.

Crystal structure of tetraethylammonium fac-tricarbonyl(hexafluoroacetylacetonato-κ2O,O′)-(nitrato-κO)rhenium(I), C16H21O8N2F6Re

Abstract: Abstract C16H21O8N2F6Re, triclinic, P1̅, a = 9.161(5) Å, b = 10.283(5) Å, c = 12.974(5) Å, α = 87.739(5)°, β = 78.339(5)°, γ = 75.047(5)°, V = 1156.3(10) Å3, Z = 2, Rgt(F) = 0.037, wRref(F2) = 0.1012, T = 100(2) K.

Crystal structure of 1-(adamantan-1-yl)-3-phenylthiourea, C17H22N2S

Abstract: Abstract C17H22N2S, orthorhombic, Pbca (no. 61), a = 12.0579(7) Å, b = 11.12133(5) Å, c = 21.9741(13) Å, V = 2946.7(3) Å3, Z = 8, Rgt(F) = 0.0470, wRref(F2) = 0.1125, T = 100 K.

Crystal structure of 2-(4-chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid, C12H13ClO4

Abstract: C12H13ClO4, monoclinic, C2/c (no. 15), a = 35.310(2) A, b = 5.9993(2) A, c = 22.7422(8) A, = 98.692(4)°, V = 4762.3 A, Z = 16, Rgt(F) = 0.0397, wRref(F ) = 0.1048, T = 153 K.

Crystal structure of carbonyl(2-oxopyridin-1(2H)-olato-κ2O, O′)(triphenylphosphine-κP)rhodium(I), C24H19NO3PRh

Abstract: Abstract C24H19NO3PRh, triclinic, P1̅ (no. 2), a = 9.1734(16) Å, b = 9.5433(18) Å, c = 12.342(2) Å, α = 92.400(6)°, β = 105.460(5)°, γ = 99.472(5)°, V = 1023 Å3, Z = 2, Rgt(F) = 0.0236, wRref(F2) = 0.0597, T = 100 K.

Crystal structure of bis(ethanaminium) poly[bis(hexaselenido-κ2Se1,Se6)palladate(II)], C4H16N2PdSe12

Abstract: Abstract C4H16N2PdSe12, monoclinic, C2/c (No. 15), a = 16.8578(5) Å, b = 7.6646(2) Å, c = 16.7440(5) Å, β = 94.7894(15)°, V = 2155.91(11) Å3, Z = 4, Rgt(F) = 0.0351, wRref(F2) = 0.0722, T = 173 K.

The crystal structure of 2-chloro-1,3-bis(2,4,6-trimethylphenyl)-4,4-dimethyl-1,3,2λ3,4-diazaphosphasiletidine

Abstract: Abstract C20H28ClN2PSi, orthorhombic, Pbca (no. 61), a = 16.811(3) Å, b = 14.357(3) Å, c = 17.523(3) Å, V = 4229.3(14) Å3, Z = 8, Rgt(F) = 0.0429, wRref(F2) = 0.1233, T = 123(2) K.

Crystal structure of catena-poly[diaqua-bis(benzene-1,2,4,5-tetracarboxylato-κN)(m2-2-(1H-1,2,4-trizol-1-ylmethyl)-1H-3,1-benzimidazol-3-ium-κ2O:O′)zinc(II)] dihydrate, C30H30N10O12Zn

Abstract: Abstract C30H30N10O12Zn, triclinic, P1̅ (no. 2), a = 7.6409(15) Å, b = 10.438(2) Å, c = 11.246(2) Å, α = 90.86(3)°, β = 107.87(3)°, γ = 100.22(3)°, V = 837.8(3) Å3, Z = 1, Rgt(F) = 0.0377, wRref(F2) = 0.0819, T = 293 K.

Crystal structure of fac-hexacarbonylbisμ2-(3-carboxy-3′-carboxylato-2,2′-bipyridine)-κ3N,N′:O-dirhenium(I) tetrahydrate, C30H22N4O18Re2

Abstract: Abstract C30H22N4O18Re2, monoclinic, P21/c (no. 14), a = 10.167(7) Å, b = 17.57(1) Å, c = 19.95(1) Å, β = 98.75(1)°, V = 3522(9) Å3, Z = 4, Rgt(F) = 0.0275, wRref(F2) = 0.0633, T = 100(2) K.

Crystal structure of 2-(4-methylbenzoyl)pyrene, C24H16O

Abstract: Abstract C24H16O, monoclinic, P21/c (no. 14), a = 13.642(3) Å, b = 10.787(2) Å, c = 11.551(2) Å, β = 110.73(3)°, V = 1589.8(6) Å3, Z = 4, Rgt(F) = 0.0506, wRref(F2) = 0.1482, T = 293(2) K.

Crystal structure of 1-(adamantan-1-yl)-3-(4-chlorophenyl)thiourea, C17H21ClN2S

Abstract: Abstract C17H21ClN2S, orthorhombic, Pbca (no. 61), a = 17.2134(6) Å, b = 8.2251(2) Å, c = 22.5220(7) Å, V = 3188.71(17) Å3, Z = 8, Rgt(F) = 0.0371, wRref(F2) = 0.0933, T = 100 K.

Crystal structure of photochromic 1-(2-methyl-5-phenyl-3-thienyl-2-[2-methyl-5-(4-ethoxylphenyl)-3-thienyl] 3,3,4,4,5,5-hexafluoro-cyclopent-1-ene, C29H22F6OS2

Abstract: Abstract C29H22F6OS2, monoclinic, P21/c, a = 6.4504(2) Å, b = 16.9752(4) Å, c = 22.8762(6) Å, β = 91.7790(10)°, V = 2503.66(12) Å3, Z = 4, Rgt(F) = 0.0377, wRref(F2) = 0.1156, T = 100(2) K.

Crystal structure of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo[5·5·0·05·9·03·11]dodecane 1/3 hydrate, C6H8N12O13

Abstract: Abstract C6H6N12O12 · 0.33 H2O, orthorhombic, Pbca (no. 61), a = 9.5152(7) Å, b = 13.2551(11) Å, c = 23.6736(18) Å, V = 2985.8(7) Å3, Z = 4, Rgt(F) = 0.0727, wRref(F2) = 0.1268, T = 293(2) K.

Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxybut-2-en-1-one C9H12N2O2

Abstract: Abstract C9H12N2O2, triclinic, P1̅ (no. 2), a = 6.6954(7) Å, b = 7.6325(8) Å, c = 9.8928(11) Å, α = 95.908(9)°, β = 92.810(9)°, γ = 108.360(8)°. V = 475.49(9) Å3, Z = 2, Rgt(F) = 0.0606, wRref(F2) = 0.1549, T = 296(2) K.

Structure and photochromism of 1-(1,2-dimethylindol-3-yl)-2-[2-methyl-5-(3-fluorophenyl)-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, C26H18F7NS

Abstract: Abstract C26H18F7NS, triclinic, P1̅, a = 8.492(18) Å, b = 11.23(2) Å, c = 14.75(3) Å, α = 68.93(2)°, β = 74.90(2)°, γ = 68.35(2)°, V = 1206(4) Å3, Z = 2, Rgt(F) = 0.0511, wRref(F2) = 0.1643, T = 296(2) K.

Crystal structure of 1,3,6,8-tetrakis(p-tolylthio)pyrene, C44H34S4

Abstract: Abstract C44H34S2, triclinic, P1̅ (no.2), a = 9.638(5) Å, b = 9.851(5) Å, c = 11.615(6) Å, α = 69.149(7)°, β = 67.313(6)°, γ = 61.805(6)°, V = 876.0(8) Å3, Z = 1, Rgt(F) = 0.0529, wRref(F2) = 0.1467, T = 296(2) K.

Crystal structure of (Z)-4-(furan-2-yl(p-tolylamino)methylene)-3-methyl-1-p-tolyl-1H-pyrazol-5(4H)-one, C23H21N3O2

Abstract: Abstract C23H21N3O2, triclinic, P1̅ (no. 2), a = 10.305(3) Å, b = 10.4528(16) Å, c = 10.6351(17) Å, b = 101.139(4)°, V = 983.4(4) Å3, Z = 2, Rgt(F) = 0.0559, wRref(F2) = 0.1607, T = 295(2) K.

Crystal structure of N-(adamantan-1-yl)-4-phenylpiperazine-1-carbothioamide, C21H29N3S

Abstract: Abstract C21H29N3S, orthorhombic, Pbca (No. 61), a = 9.8658(7) Å, b = 11.7298(9) Å, c = 31.960(2) Å, V = 3698.5(5) Å3, Z = 8, Rgt(F) = 0.0644, wRref(F2) = 0.1684, T = 100 K.

Crystal structure of trans-dibromidodi(pyridine-κN)palladium(II), PdBr2(C5H5N)2

Abstract: Abstract C10H10Br2N2Pd, triclinic, P1̅ (no. 2), a = 5.6549(3) Å, b = 7.0210(3) Å, c = 7.7723(4) Å, α = 80.031(3)°, β = 84.601(2)°, γ = 89.222(2)°, V = 302.58(3) Å3, Z = 1, Rgt(F) = 0.0309, wRref(F2) = 0.0841, T = 223(2) K.

Redetermination of the crystal structure of 3-bromobenzoic acid, C7H5BrO2

Abstract: Abstract C7H5BrO2, monoclinic, P21/n (no. 14), a = 5.9992(4) Å, b = 4.7064(4) Å, c = 25.149(2) Å, b = 92.283(4)°, V = 709.51(10) Å3, Z = 4, Rgt(F) = 0.0363, wRref(F2) = 0.0857, T = 200 K.

Crystal structure of tetrabutylammonium 4-aminobenzenesulfonate 2/3 hydrate, C22H42N2O3S · 2/3 H2O

Abstract: Abstract C22H43.33N2O3.67S, monoclinic, P21/c, a = 9.5273(1) Å, b = 14.8850(2) Å, c = 17.5820(2) Å, V = 2492.84(5) Å3, Z = 4, Rgt(F) = 0.0526, wRref(F2) = 0.1459, T = 296.

Crystal structure of poly[diaqua-μ5-4-(3,5-dicarboxylato-κ3O1:O2:O3-phenoxy)phthalato-κ3O5,O7:O8)(μ2-4-(1H-pyrazol-5-yl)pyridine-κ2N:N′)dicobalt(II)] C24H16N3O11Co2

Abstract: Abstract C24H16N3O11Co2, monoclinic, P21/n, a = 7.3343(2) Å, b = 42.2275(12) Å, c = 7.5118(2) Å, β = 100.988(3)°, V = 2283.82(11) Å3, Z = 4, Rgt(F) = 0.0365, wRref(F2) = 0.1142, T = 293(2) K.