Showing papers in "Zeitschrift Fur Kristallographie-new Crystal Structures in 2019"

A cyclic I102− anion in the layered crystal structure of theophyllinium pentaiodide, C7H9I5N4O2

Abstract: Abstract C7H9I5N4O2, monoclinic, P21/c (no. 14), a = 9.46793(10) Å, b = 11.58276(12) Å, c = 16.41497(18) Å, β = 100.844(1)°, Z = 4, V = 1768.00(3) Å3, Rgt(F) = 0.0306, wRref(F2) = 0.0728, T = 130(2) K.

Halogen and hydrogen bonding in the layered crystal structure of 2-iodoanilinium triiodide, C6H7I4N

Abstract: Abstract C6H7I4N, monoclinic, P21/m (no. 11), a = 9.2818(2) Å, b = 6.55289(16) Å, c = 11.0561(3) Å, β = 114.051(3)°, V = 614.08(3) Å3, Z = 2, Rgt(F) = 0.0180, wRref(F2) = 0.0367, T = 109(2) K.

The crystal structure of catena-poly(μ2-4,4′-bipyridine-κ2N:N′)-tetrakis(μ2-2-((3,5,6-trichloropyridin-2-yl)oxy)acetato-κ2O:O′)dinickel(II)], C19H10Cl6N3NiO6

Abstract: Abstract C19H10Cl6CoN3O6, tetragonal, I4̄ (no. 82), a = 13.1152(4) Å, c = 14.2497(6) Å, V = 2451.07(18) Å3, Z = 4, Rgt(F) = 0.0359, wRref(F2) = 0.0843, T = 293.2(3) K.

Crystal structure of (3E,5E)-3,5-bis(4-cyanobenzylidene)-1-((4-fluorophenyl)sulfonyl)piperidin-4-one, C27H18FN3O3S

Abstract: Abstract C27H18FN3O3S, monoclinic, P21/c (no. 14), a = 8.091(6) Å, b = 42.84(3) Å, c = 7.096(6) Å, β = 107.806(10)°, V = 2342(3) Å3, Z = 4, Rgt(F) = 0.0616, wRref(F2) = 0.1321, T = 173(2) K.

Crystal structure of chlorido-dimethyl-(phenylpiperazine-1-carbodithioato-κ2S,S′)tin(IV), C13H19ClN2S2Sn

Abstract: Abstract C13H19ClN2S2Sn, triclinic, P1̄ (no. 2), a = 6.5837(2) Å, b = 9.9458(2) Å, c = 12.8720(3) Å, α = 85.344(2)°, β = 79.508(2)°, γ = 83.832(2)°, V = 822.33(4) Å3, Z = 2, Rgt(F) = 0.0176, wRref(F2) = 0.0461, T = 100 K.

Crystal structure of (3E,5E)-3,5-bis(3-nitrobenzylidene)-1-((4-(trifluoromethyl)phenyl)sulfonyl)piperidin-4-one — dichloromethane (2/1), C53H38Cl2F6N6O14S2

Abstract: Abstract C53H38Cl2F6N6O14S2, triclinic, P1̄ (no. 2), a = 12.1975(6) Å, b = 13.9973(7) Å, c = 16.3818(10) Å, α = 69.365(5)°, β = 76.620(5)°, γ = 77.292(4)°, V = 2516.8(3) Å3, Z = 2, Rgt(F) = 0.0540, wRref(F2) = 0.1413, T = 100.02(10) K.

Crystal structure of methyl 4-acetoxybenzoate, C10H10O4

Abstract: Abstract C10H10O4, monoclinic, C2/c (no. 15), a = 25.400(4) Å, b = 5.9738(10) Å, c = 12.746(2) Å, β = 94.318(2)°, V = 1928.5(6) Å3, Z = 8, Rgt(F) = 0.0434, wRref(F2) = 0.1276, T = 296(2) K.

Bis(ethanol-κO)-bis(6-aminopicolinato-κ2N,O)magnesium(II), C16H22O6N4Mg

Abstract: Abstract C16H22O6N4Mg, triclinic, P1̄ (no. 2), a = 7.3165(15) Å, b = 8.2660(17) Å, c = 8.7599(18) Å, α = 71.60(3)°, β = 77.07(3)°, γ = 64.19(3)°, V = 450.2(2) Å3, Z = 1, Rgt(F) = 0.0513, wRref(F2) = 0.1335, T = 293(2) K.

Crystal structure of diaqua-bis(3,5-dichloroisonicotinato-κ1O)-bis(1,3-di(pyridin-4-yl)propane-κ1N)cobalt(II), C38H36Cl4N6O6Co

Abstract: Abstract C38H36Cl4N6O6Co, triclinic, P1̄ (no. 2), a = 9.2687(4) Å, b = 9.7747(6) Å, c = 12.0131(6) Å, α = 87.947(4)°, β = 82.062(4)°, γ = 67.258(5)°, V = 993.96(10) Å3, Z = 1, Rgt(F) = 0.0397, wRref(F2) = 0.0881, T = 292.6(3) K.

Crystal structure of dichlorido-bis(4-methylphenyl-κC)-bis(triphenylarsine oxide-κO)tin(IV), C50H44As2Cl2O2Sn

Abstract: Abstract C50H44As2Cl2O2Sn, monoclinic, P21/n (no. 14), a = 10.84633(6) Å, b = 14.61376(9) Å, c = 13.53951(8) Å, β = 91.5073(6)°, V = 2145.35(2) Å3, Z = 2, Rgt(F) = 0.0237, wRref(F2) = 0.0642, T = 100(2) K.

Crystal structure of aqua-bis(5-bromo-6-methyl-picolinato-κ2N,O)zinc(II) dihydrate, C14H16Br2N2O7Zn

Abstract: Abstract C14H16Br2N2O7Zn, orthorhombic, Pna21 (no. 33), a = 15.4300(3) Å, b = 10.6264(2) Å, c = 11.4638(2) Å, V = 1879.66(6) Å3, Z = 4, Rgt(F) = 0.0328, wRref(F2) = 0.0709, T = 293 K.

Synthesis and crystal structure of bis{2-bromo-6-(((4-(1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O}cobalt(II)–dichloromethane(1/1), C34H32Br2Cl4CoN4O4

Abstract: Abstract C34H32Br2Cl4CoN4O4, monoclinic, C2/c (no. 15), a = 30.281(3) Å, b = 8.9971(8) Å, c = 13.9050(13) Å, β = 107.053(5)°, Z = 4, V = 3621.7(6) Å3, Rgt(F) = 0.0648, wRref(F2) = 0.1629, T = 173(2) K.

Crystal structure of the co-crystal 2-[(2-carboxyphenyl)disulfanyl]benzoic acid – 3-chlorobenzoic acid (2/1), C35H25ClO10S4

Abstract: The molecular structure is shown in the figure. Tables 1 and 2, respectively, contain details on crystal characteristics and measurement conditions, and a list of the atoms including atomic coordinates and displacement parameters.

Crystal structure of catena-poly[diaqua-bis(3,5-dichloropyridine-4-carboxylato-κ1O)-bis(μ2-4,4′-bipyridine-κ2N:N′)cobalt(II)], C22H16Cl4CoN4O6

Abstract: Abstract C22H16Cl4CoN4O6, orthorhombic, P21212 (no. 18), a = 10.1837(5) Å, b = 11.2878(6) Å, c = 11.3984(4) Å, V = 1310.26(11) Å3, Z = 2, Rgt(F) = 0.0400, wRref(F2) = 0.0910, T = 290(2) K.

The crystal structure of (E)-N′-((2-hydroxynaphthalen-1-yl)methylene)-2-phenylacetohydrazide, C19H16O2N2

Abstract: Abstract C19H16O2N2, orthorhombic, Pbca (no. 61), a = 12.200(2) Å, b = 9.5800(19) Å, c = 25.060(5) Å, V = 2928.9(10) Å3, Z = 8, Rgt(F) = 0.0818, wRref(F2) = 0.2438, T = 293(2) K.

Crystal structure of N-methyl-N-phenyl(methylsulfanyl)carbothioamide, C9H11NS2

Abstract: Abstract C9H11NS2, monoclinic, P21/n (no. 14), a = 5.6183(1) Å, b = 18.2426(3) Å, c = 9.5185(2) Å, β = 96.835(2)°, V = 968.64(3) Å3, Z = 4, Rgt(F) = 0.0303, wRref(F2) = 0.0826, T = 100(2) K.

Crystal structure of (2,2′-bipyridyl)bis(4-chlorobenzyl)dichloridotin(IV), C24H20Cl4N2Sn

Abstract: Abstract C24H20Cl4N2Sn, monoclinic, P21/n (no. 14), a = 7.7944(1) Å, b = 21.1245(2) Å, c = 14.7611(1) Å, β = 95.077(1)°, V = 2420.92(4) Å3, Z = 4, Rgt(F) = 0.0229, wRref(F2) = 0.0603, T = 100(2) K.

Crystal structure of ethyl (Z)-(4-oxo-4-phenylbut-2-en-2-yl)glycinate, C14H17NO3

Abstract: Abstract C14H17NO3, monoclinic, P21/n (no. 14), a = 11.1445(7) Å, b = 8.5442(5) Å, c = 14.2503(8) Å, β = 97.5684(11)°, V = 1345.10(14) Å3, Z = 4, Rgt(F) = 0.0668, wRref(F2) = 0.1680, T = 296(2) K.

Crystal structure of (dibenzyl sulphoxide-κO)bis(2-chlorobenzyl-κC1)dichloridotin(IV), C28H26Cl4OSSn

Abstract: C28H26Cl4OSSn, monoclinic, P21/c (no. 14), a = 10.6342(2) A, b = 12.9298(3) A, c = 20.3576(4) A, β = 101.820(1)°, V = 2739.78(10) A3, Z = 4, Rgt(F) = 0.0197, wRref(F2) = 0.0520,T = 100(2) K.

Crystal structure of (3R,5R,8R,9R,10R,12R,13R,14R)-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol, C30H52O3

Abstract: Abstract C30H52O3, orthorhombic, P212121 (no. 19), a = 6.71147(14) Å, b = 16.6565(4) Å, c = 25.0815(6) Å, V = 2803.85(11) Å3, Z = 4, Rgt (F) = 0.0405, wRref (F2) = 0.1092, T = 293(2) K.

Crystal structure of (1S,3aR,3bR,10aR,10bR,12aR)-8-amino-3a,3b,6,6,10a-pentamethyl-1-((S)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1H-cyclopenta[7,8]phenanthro[2,3-d]thiazol-12-ol – a panaxadiol dervative, C31H50N2O2S

Abstract: Abstract C31H50N2O2S, orthorhombic, P212121 (no. 19), a = 11.9922(9) Å, b = 16.7099(8) Å, c = 29.1262(16) Å, V = 5836.6(6) Å3, Z = 8, Rgt(F) = 0.0654, wRref(F2) = 0.1230, T = 293(2) K.

The crystal structure of 4-(methoxycarbonyl)benzoic acid, C9H8O4

Abstract: Abstract C9H8O4, monoclinic, P21/c (no. 14), a = 4.8541(19) Å, b = 5.880(2) Å, c = 29.1938(11) Å, β = 91.430(5)°, V = 833.0(5) Å3, Z = 4, Rgt(F) = 0.0477, wRref(F2) = 0.1259, T = 296(2) K.

Crystal structure of aqua-chlorido-(4-fluorobenzyl-κC)-(N′-(4-methoxy-2-oxidobenzylidene)-3-hydroxy-2-naphthohydrazidato-κ3N,O,O′)tin(IV), C26H22ClFN2O5Sn

Abstract: Abstract C26H22ClFN2O5Sn, triclinic, P1̄ (no. 2), a = 7.1473(6) Å, b = 12.8246(11) Å, c = 13.2899(11) Å, α = 97.541(5)°, β = 94.503(6)°, γ = 96.247(5)°, V = 1195.13(18) Å3, Z = 2, Rgt(F) = 0.0325, wRref(F2) = 0.0756, T = 296(2) K.

Crystal structure and optical properties of 1,6-bis(methylthio)pyrene, C18H14S2

Abstract: Abstract C18H14S2, monoclinic, P21/c (no. 14), a = 10.196(3) Å, b = 14.756(4) Å, c = 9.508(3) Å, β = 103.965(14)°, V = 1388.3(7) Å3, Z = 4, Rgt(F) = 0.0480, wRref(F2) = 0.1207, T = 200(2) K.

Crystal structure of N-((3R,10S,13S,17S)-17-((S)-1-(dimethylamino)ethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-N-methylbenzamide, C31H48N2O

Abstract: Abstract C31H48N2O, orthorhombic, P212121 (no. 19), a = 6.530(2) Å, b = 11.728(4) Å, c = 35.236(12) Å, V = 2698.6(15) Å3, Z = 4, Rgt(F) = 0.0492, wRref(F2) = 0.1034, T = 173 K.

Crystal structure of catena-poly[(μ2-4,4′-bipyridyl-κN,N′)-bis(O,O′-dimethyldithiophosphato-κS)-zinc(II)], {C14H20N2O4P2S4Zn}n

Abstract: C14H20N2O4P2S4Zn, triclinic, P¯1 (no. 2), a = 8.0014(2) A, b = 10.3376(2) A, c = 14.2488(3) A, α = 84.676(2)°, β = 76.042(2)°, γ = 79.752(2)°, V = 1124.01(4) A3, Z = 2, Rgt(F) = 0.0265, wRref(F2) = 0.0655, T = 100(2) K.

Crystal structure of benzyl-chlorido-(4-chloro-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonato)-methanol-tin(IV), C22H20Cl2N2O3Sn

Abstract: Abstract C22H20Cl2N2O3Sn, orthorhombic, P212121 (no. 19), a = 8.1234(3) Å, b = 10.7966(3) Å, c = 24.9785(8) Å, V = 2190.74(12) Å3, Z = 4, Rgt(F) = 0.0271, wRref(F2) = 0.0645, T = 293(2) K.

Crystal structure of methyl 2-(4-(3-iodopyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C15H12IN3O2

Abstract: Abstract C15H13N3O2, triclinic, P1̄ (no. 2), a = 4.6502(18) Å, b = 11.937(3) Å, c = 13.1822(19) Å, α = 115.26(4)°, β = 94.81(5)°, γ = 96.49(5)°, V = 650.4(4) Å3, Z = 2, Rgt(F) = 0.0762, wRref(F2) = 0.1794, T = 296(2) K.

Crystal structure of dibromidobis(4-bromobenzyl)tin(IV), C14H12Br4Sn

Abstract: Abstract C14H12Br4Sn, monoclinic, I2/a (no. 15), a = 12.6379(2) Å, b = 4.9674(1) Å, c = 26.1845(4) Å, β = 94.507(1)°, V = 1638.71(5) Å3, Z = 4, Rgt(F) = 0.0142, wRref(F2) = 0.0358, T = 100 K.

Crystal structure of iodido-triphenyl-(triphenylphosphine oxide)tin(IV), C36H30IOPSn

Abstract: Abstract C36H30IOPSn, monoclinic, P21 (no. 4), a = 9.7251(6) Å, b = 17.3609(11) Å, c = 10.0542(6) Å, β = 114.379(1)°, V = 1546.16(17) Å3, Z = 2, Rgt(F) = 0.0113, wRref(F2) = 0.0301, T = 296(2) K.