Home Crystal structure of chlorido-tris(4-methylbenzyl-κC)-(triphenylarsine oxide-κO)tin(IV), C42H42AsClOSn
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Crystal structure of chlorido-tris(4-methylbenzyl-κC)-(triphenylarsine oxide-κO)tin(IV), C42H42AsClOSn

  • See Mun Lee , Kong Mun Lo and Edward R.T. Tiekink ORCID logo EMAIL logo
Published/Copyright: April 7, 2020
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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 235 Issue 4

Abstract

C42H42AsClOSn, monoclinic, P21/n (no. 14), a = 17.5342(1) Å, b = 11.1174(1) Å, c = 18.5675(1) Å, β = 95.405(1)°, V = 3603.36(4) Å3, Z = 4, Rgt(F) = 0.0184, wRref(F2) = 0.0465, T = 100(2) K.

CCDC no.: 1981098

The molecular structure is shown in the figure. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters.

Table 1:

Data collection and handling.

Crystal:Colourless prism
Size:0.15 × 0.09 × 0.06 mm
Wavelength:Cu Kα radiation (1.54184 Å)
μ:7.58 mm−1
Diffractometer, scan mode:XtaLAB Synergy, ω
θmax, completeness:67.1°, >99%
N(hkl)measured, N(hkl)unique, Rint:43809, 6436, 0.032
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 6274
N(param)refined:418
Programs:CrysAlisPRO [1], SHELX [2], [3], WinGX/ORTEP [4]
Table 2:

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).

AtomxyzUiso*/Ueq
Sn0.52984(2)0.17358(2)0.85374(2)0.01452(4)
As0.45399(2)0.40968(2)0.71793(2)0.01291(5)
Cl10.59826(3)0.01332(4)0.93590(3)0.02912(10)
O10.46934(7)0.28693(11)0.76795(6)0.0192(2)
C10.61765(10)0.15021(16)0.78014(10)0.0195(4)
H1A0.6250080.2270280.7547280.023*
H1B0.6666760.1293310.8082140.023*
C20.59725(10)0.05389(16)0.72564(10)0.0200(4)
C30.55775(11)0.08061(17)0.65882(10)0.0226(4)
H30.5448960.1618130.6473090.027*
C40.53686(11)−0.00906(18)0.60882(11)0.0272(4)
H40.5092770.0118890.5640830.033*
C50.55549(11)−0.12918(18)0.62284(11)0.0272(4)
C60.59635(11)−0.15533(17)0.68870(12)0.0271(4)
H60.611222−0.2360970.6991720.033*
C70.61603(10)−0.06655(17)0.73964(11)0.0239(4)
H70.642690−0.0879940.7847240.029*
C80.53099(14)−0.2265(2)0.56898(13)0.0393(5)
H8A0.572566−0.2849820.5671080.059*
H8B0.519099−0.1905840.5210330.059*
H8C0.485396−0.2671030.5838040.059*
C90.54611(11)0.31694(16)0.93253(9)0.0205(4)
H9A0.4953090.3520640.9389510.025*
H9B0.5657810.2809220.9793960.025*
C100.59830(10)0.41647(17)0.91632(9)0.0200(4)
C110.67408(10)0.39611(17)0.90110(9)0.0209(4)
H110.6926070.3159010.8998720.025*
C120.72262(10)0.49056(17)0.88781(10)0.0211(4)
H120.7740170.4739650.8788040.025*
C130.69715(10)0.60937(17)0.88745(10)0.0215(4)
C140.62192(10)0.63036(17)0.90212(10)0.0222(4)
H140.6031710.7105300.9021940.027*
C150.57371(10)0.53574(17)0.91669(9)0.0214(4)
H150.5228270.5528170.9271430.026*
C160.74866(12)0.71236(19)0.87188(12)0.0318(4)
H16A0.7501430.7204240.8194670.048*
H16B0.8004720.6969370.8945990.048*
H16C0.7289610.7868560.8914060.048*
C170.42186(10)0.07919(15)0.85301(10)0.0205(4)
H17A0.4143450.0292130.8087760.025*
H17B0.4239530.0245780.8952630.025*
C180.35457(10)0.16240(15)0.85531(10)0.0175(3)
C190.33787(10)0.21684(16)0.91982(10)0.0208(4)
H190.3699380.2014370.9629750.025*
C200.27536(11)0.29299(17)0.92215(10)0.0225(4)
H200.2650750.3277470.9669630.027*
C210.22742(10)0.31940(16)0.85995(11)0.0220(4)
C220.24428(10)0.26578(17)0.79544(10)0.0219(4)
H220.2127670.2824300.7521330.026*
C230.30614(10)0.18863(16)0.79328(10)0.0193(4)
H230.3157880.1528140.7485760.023*
C240.16105(12)0.40462(19)0.86216(13)0.0330(5)
H24A0.1480890.4128050.9121290.050*
H24B0.1167050.3731090.8319210.050*
H24C0.1751220.4834740.8438770.050*
C250.54415(9)0.45079(15)0.67217(9)0.0153(3)
C260.60873(10)0.48629(15)0.71676(9)0.0182(3)
H260.6063850.4941020.7674530.022*
C270.67642(10)0.51007(16)0.68625(10)0.0215(4)
H270.7207340.5341170.7161720.026*
C280.67954(10)0.49883(17)0.61223(11)0.0237(4)
H280.7259200.5157650.5915900.028*
C290.61521(11)0.46293(18)0.56807(10)0.0252(4)
H290.6178240.4548440.5174280.030*
C300.54690(10)0.43878(16)0.59792(9)0.0201(4)
H300.5027180.4143960.5679210.024*
C310.42834(9)0.54320(15)0.77577(9)0.0159(3)
C320.45952(10)0.65618(16)0.76556(10)0.0179(3)
H320.4903480.6697580.7269340.022*
C330.44507(10)0.74905(16)0.81250(10)0.0215(4)
H330.4670750.8261350.8067170.026*
C340.39867(10)0.72939(17)0.86766(10)0.0234(4)
H340.3886790.7932280.8994570.028*
C350.36658(10)0.61662(18)0.87676(10)0.0228(4)
H350.3342970.6039870.9143790.027*
C360.38159(10)0.52248(16)0.83107(9)0.0193(4)
H360.3602830.4450710.8374300.023*
C370.37291(9)0.37674(16)0.64442(9)0.0155(3)
C380.31917(10)0.46473(16)0.62303(9)0.0185(3)
H380.3219750.5418720.6451340.022*
C390.26135(10)0.43858(17)0.56900(9)0.0207(4)
H390.2240910.4978430.5542150.025*
C400.25790(10)0.32629(17)0.53662(10)0.0206(4)
H400.2185440.3092460.4992890.025*
C410.31137(10)0.23852(17)0.55821(10)0.0219(4)
H410.3085820.1616240.5358040.026*
C420.36907(10)0.26332(16)0.61273(10)0.0194(4)
H420.4055590.2033120.6282120.023*

Source of material

Tri(4-methylbenzyl)tin chloride was prepared from the direct reaction of 4-methylbenzyl chloride (Merck) and metallic tin powder (Merck) in water according to a literature procedure [5]. Tri(4-methylbenzyl)tin chloride (0.47 g, 1.0 mmol) and triphenylarsine oxide (Sigma-Aldrich, 0.32 g, 1.0 mmol) were heated in 95% ethanol (30 ml) for 1 h. After filtration, the filtrate was evaporated slowly until colourless crystals were formed. Yield: 0.45 g (56.8%). M.pt (Mel-temp II digital melting point apparatus): 345–347 K. 1H NMR (Bruker Ascend 400 MHz NMR spectrometer; CDCl3; ppm relative to Me4Si): δ 2.27 (s, 9H, CH3), 2.62 (s, 6H, CH2), 6.74 (d, 6H, J = 7.45 Hz, Benzyl-H), 6.89 (d, 6H, J = 7.48 Hz, Benzyl-H), 7.44–7.62 (m, 15H, Ph-H). 13C{1H} NMR (as for 1H NMR): 20.9 (CH3), 28.5 (CH2), 128.1, 128.7, 129.0, 129.3, 131.1, 131.7, 133.6, 136.4 (Ph-C). 119Sn{1H} NMR (as for 1H with ppm relative to Me4Sn): −227.8.

Experimental details

The C-bound H atoms were geometrically placed (C—H = 0.95–0.99 Å) and refined as riding with Uiso(H) = 1.2–1.5Ueq(C).

Comment

Recently, the X-ray crystal structure determination of an triorganoarsine oxide adduct of an organotin halide species was described, namely six-coordinate (4-MePh)2SnCl2(O=AsPh3)2 [6]. This study complemented a relatively small number of known literature precedents. Hexa-coordinate tin centres are also noted in the one-dimensional coordination polymer {[(n-Bu)2SnCl2]O=As(Ph2)CH2CH2As(Ph2)=O[(n-Bu)2SnCl2]}n, [7]. The remaining structures exhibit five-coordinate tin centres, i.e. mononuclear (4-ClC6H4CH2)3SnCl(O=AsPh3) [8], Ph3SnCl2(O=AsPh3) [9] and (4-ClC6H4)3SnCl(O=AsPh3) [9], and binuclear (Ph3SnCl)O=As(Ph2)CH2CH2As(Ph2)=O(Ph3SnCl) [10]. Herein, in continuation of structural studies in this area [6], [9], the crystal and molecular structures of the triphenylarsine oxide adduct of tri(4-methylbenzyl)tin chloride, (4-MeC6H4CH2)3SnCl(O=AsPh3), (I), are described.

The molecular structure of (I) is shown in the figure (70% displacement ellipsoids) and features a penta-coordinated tin centre, within a distorted trigonal bipyramidal geometry. The three positions in the trigonal plane are occupied by the three tin-bound 4-methylbenzyl substituents with the range of C—Sn—C angles being a narrow 117.26(7)°, for C1—Sn—C9, to a wide 127.65(7)°, for C1—Sn—C17. The axial positions are occupied by chloride [2.5683(4) Å] and oxido-O1 [2.2209(11) Å] atoms, which subtend an angle of 169.90(3)° at the tin centre. The arsenic atom is tetrahedrally coordinated with the range of tetrahedral angles being narrow, i.e. 108.13(7)°, for C25—As—C31, to 111.03(7)°, for O1—As—C31. The angle subtended at the oxido-O1 atom is bent, i.e. Sn—O1—As = 155.50(7)°. When viewed down the approximate spine of the molecule, the conformation of the aryl substituents is relatviely close to eclipsed, as opposed to staggered.

There are three closely related literature precedents to (I), namely (4-ClC6H4CH2)3SnCl(O=AsPh3) [8], Ph3SnCl2(O=AsPh3) [9] and (4-ClC6H4)3SnCl(O=AsPh3) [9]. Not unexpectedly, these feature very similar coordination geometries. Indeed, (I) and (4-ClC6H4CH2)3SnCl(O=AsPh3) [8] are isostructural.

The molecular packing in the crystal of (I) features non-covalent interactions of the type C—H⋯π but, no other directional contacts [11]. The C—H⋯π interactions involve 4-tolyl and 4-tolyl [C12—H12⋯Cg(C2—C7)i: H12⋯Cg(C2—C7)i = 2.89 Å C12⋯Cg(C2—C7)i = 3.8174(19) Å with angle at H12 = 167° for symmetry operation (i) 3/2 − x, 1/2 + y, 3/2 − z], 4-tolyl and arsenic-bound phenyl [C22—H22⋯Cg(C31—C36)ii: H22⋯Cg(C31—C36)ii = 2.97 Å, C22⋯Cg(C31—C36)ii = 3.647(2) Å with angle at H22 = 129° for (ii) 1/2 − x, −1/2 + y, 3/2 − z] and arsenic-bound phenyl and 4-tolyl [C38—H38⋯Cg(C18—C23)iii: H38⋯Cg(C18—C23)iii = 2.97 Å; C38⋯Cg(C18—C23)iii = 3.6634(19) Å with angle at H38 = 131° for (iii) 1/2 − x, 1/2 + y, 3/2 − z] as donors and acceptors. The C—H⋯π interactions connect molecules into a supramolecular layer in the ab-plane; these stack along the c-axis without directional interactions between them.

A further analysis of the molecular packing of (I) was conducted with aid of the program Crystal Explorer 17 [11] using standard procedures [12]. Thus, the Hirshfeld surfaces were calculated along with the full and decomposed two-dimensional fingerprint plots. This analysis indicated the dominance of three types of surface contacts operating in the crystal of (I), namely H⋯H [68.6%], C⋯H/H⋯C [25.3%] and Cl⋯H/H⋯Cl [6.1%]. A similar study was perfomed on isostructural (4-ClC6H4CH2)3SnCl(O=AsPh3) (II) [8]. This showed, again, the dominance of H⋯H [43.3%], C⋯H/H⋯C [21.9%] and Cl⋯H/H⋯Cl [28.3%] contacts to the surface plus smaller contributions by Cl⋯C/C⋯Cl [5.5%] and Cl⋯Cl [1.0%] contacts. In the crystal of (II), the decrease in H⋯H and C⋯H/H⋯C contacts is accompanied by an increase in Cl⋯H/H⋯Cl contacts, compared with (I). However, the latter occur at longer separations than the sum of the van der Waals radii, i.e. 2.95 Å [13], indicating their minimal participation in directional interactions, consistent with the isostructural relationship between (I) and (II).

Acknowledgements

Sunway University Sdn Bhd is thanked for financial support of this work through Grant No. STR-RCTR-RCCM-001–2019.

References

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Received: 2019-12-06
Accepted: 2020-01-31
Published Online: 2020-04-07
Published in Print: 2020-06-25

©2020 See Mun Lee et al., published by De Gruyter, Berlin/Boston

This work is licensed under the Creative Commons Attribution 4.0 Public License.

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  39. The crystal structure of catena-poly[bis[3-azoniapentane-1,5-diammonium][bis(μ4-oxo)-tetrakis(μ3-oxo)-heptakis(μ2-oxo)-tetradecaoxo-octa-molybdenum] dihydrate], (C8H36N6O29Mo8)n
  40. Crystal structure of tetraaqua-bis(2-((3,5,6-trichloropyridin-2-yl)oxy)acetato-κO)-nickel(II)—diaqua-bis(2-((3,5,6-trichloropyridin-2-yl)oxy)acetato-nickel(II), C28H24Cl12N4Ni2O18
  41. The crystal structure of bis(2-hydroxypyrimidinium) pentachloridobismuthate(III), (C4N2H5O)2BiCl5
  42. The crystal structure of catena-poly[(μ2-4,4′-dipyridine-κ2N,N′)-bis(3,5,6-trichloropyridine-2-oxyacetato-κO)-bis(ethanol-κO)nickel(II)], C28H26Cl6N4NiO8
  43. Crystal structure and anti-inflammatory activity of (3E,5E)-1-((4-chlorophenyl)sulfonyl)-3,5-bis(4-fluorobenzylidene)piperidin-4-one-dichloromethane (1/1), C26H20Cl3F2NO3S
  44. The crystal structure of 5-bromopicolinic acid monohydrate, C6H6BrNO3
  45. The crystal structure of 2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-8H-indeno[1,2-d]thiazole, C25H17BrFN3S
  46. The crystal structure of catena-poly[(μ2-2-((3-bromo-2-oxidobenzylidene)amino)acetato-κ4O,N,O′:O′′)-(dimethylformamide-κ1O)]zinc(II), C12H13N2O4BrZn
  47. Crystal structure of aqua-azido-κ1N-(6,6′-((propane-1,3-diylbis(azanylylidene))bis(methanylylidene))bis(3-bromophenolato)-κ4N,N′,O,O′iron(III), C17H16Br2FeN5O3
  48. The crystal structure of tris(1-ethylimidazole-κ1N)-(sulfato-κ2O,O′)vanadium(IV), C15H24N6O5SV
  49. Crystal structure of (E)-3-methoxy-N′-(1-(pyridin-2-yl)ethylidene)benzohydrazide, C15H15N3O2
  50. Crystal structure of dichloro-bis-(1-butyl-1H-benzo[d]imidazole)-nickel(II), C22H28Cl2N4Ni
  51. The crystal structure of 2-(2,3-dimethoxyphenyl)-3-hydroxy-4H-chromen-4-one, C17H14O5
  52. The crystal structure of 5-(2-(4-fluorophenyl)hydrazono)-4-methyl-2-((3-(5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)methylene) hydrazono)-2,5-dihydrothiazole dimethylformamide monosolvate, C30H25FN10S⋅C3H7NO
  53. The crystal structure of 1,8-bis(pyridin-4-ylethynyl)anthracene-1,2,4,5-tetrafluoro-3,6-diiodobenzene (2/1), C62H32F4I2N4
  54. The crystal structure of 3,6-di-tert-butyl-1,8-diiodo-9-methyl-9H-carbazole, C21H25I2N
  55. The crystal structure of 8-((4-chlorophenylamino)methylene)-6,10-dioxaspiro[4.5]decane-7,9-dione, C15H14ClNO4
  56. The crystal structure of catena-poly[oktaaqua-bis(μ2-4,4′-ethene-1,2-diyldipyridine-κ2N:N′)-(μ2-3,3′-(1-oxidodiazene-1,2-diyl)diphthalato-κ2O:O′)dicobalt(II)] dihydrate, C28H36N4O19Co2
  57. Crystal structure of (E)-1-(2-cyano-3-oxo-1-phenylprop-1-en-1-yl)-3,7-diphenylindolizine-6-carbonitrile, C31H19N3O
  58. Crystal structure of 1,1′-bis(diphenylphosphino)ferrocene-(1,1′-bis(diphenylphosphino)ferrocene-κ2P,P′)-(O-isobutyl sulfurodithioito-κ2S,S′)copper(I), C39H37CuFeOP2S2
  59. Crystal structure of poly[(5-bimethylamino-1-naphthalenesulfonato-κO)-(μ3-hexamethylenetetramino-κ3N:N′:N′′)silver(I)] dihydrate, C36H52Ag2N10O8S2
  60. Crystal structure of poly[μ2-diaqua-(μ2-2-amino-4,5-dicyano-κ2N:N′-imidazol-1-ide)sodium(I)], C5H6N5O2Na
  61. Crystal structure of (1,3-propanediamine-κ2N,N′)(N-(3-aminopropyl)-α-methyl aspartato-κ4N,N′,O,O′)cobalt(III) chloride, C11H24ClCoN4O4
  62. Crystal structure and anti-inflammatory activity of (3E,5E)-3,5-bis(4-fluorobenzylidene)-1-((4-fluorophenyl)sulfonyl)piperidin-4-one-dichloromethane (1/1), C26H20Cl2F3NO3S
  63. Crystal structure of (S)-(+)-1-cyclohexylethylaminium chloride, C8H18NCl
  64. The crystal structure of tris(nitrato-κ2O,O′)-bis(4,4,5,5-tetramethyl-2-(o-pyridyl)imidazoline-1-oxyl 3-oxide-κ2N,O)yttrium(III), C24H32N9O13Y
  65. Hydrogen bonding versus packing effects in the crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetraiodidozincate(II), C10H16I4ZnN2
  66. Dimerization of 2-[(2-((2-aminophenyl)thio)phenyl)amino]-cyclohepta-2,4,6-trien-1-one through hydrogen bonding, C19H16N2OS
  67. Crystal structure of 1-(4-chloro-phenyl)-7-ethoxyl-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, C18H12ClF2NO4
  68. Crystal structure of 7-ethoxy-6,8-difluoro-4-oxo-1-pyridin-2-ylmethyl-1,4-dihydro-quinoline-3-carboxylic acid, C18H14F2N2O4
  69. Crystal structure of octahydro-7aR,8′R-dimethylspiro[isobenzofuran-4(1H), 4′ (3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-1′,3, 9′ (3aH,4′aH)-trione, C20H26O5
  70. Crystal structure of bis(5-ethoxy-2-(((1-hydroxy-2-methyl-3-oxidopropan-2-yl)imino)methyl)phenolato-κ3N,O,O’)manganese(IV) – methanol (1/1), C27H38MnN2O9
  71. Crystal structure of 8a,8a′′-oxybis(8aH-8,9-dioxa-3a1λ4-aza-8aλ4-borabenzo[fg]tetracene), C34H22B2N2O5
  72. Crystal structure of bromido-triphenyl-(triphenylarsine oxide-κO)tin(IV), C36H30AsBrOSn
  73. Crystal structure of catena-poly[chlorido-(μ2-formato-κ2O:O′)-(1,10-phenathroline-κ2N,N′)copper(II)], C26H18Cl2Cu2N4O4
  74. The crystal structure of poly[(μ10-5-carboxyisophthalato-κ10O)disodium], C9H4Na2O6
  75. The crystal structure of 3,5-difluoroisonicotinic acid, C6H3F2NO2
  76. The crystal structure of ethyl-1-(N-(adamantan-1-yl)-carbamothioyl)piperidine-4-carboxylate, C19H30N2O2S
  77. Crystal structure of 5-methyl-3-phenyl-1-tosyl-1,2,3,4-tetrahydropyridine, C19H21NO2S
  78. Crystal structure of bis((3-chlorosalicylidene)-ethylenediaminato-κ4N,N′,O,O′)nickel (II), C16H12Cl2NiN2O2
  79. Crystal structure of (E)-N′-(2-chloro-6-hydroxybenzylidene)-4-hydroxybenzohydrazide — dihydrofuran-2(3H)-one (1/1), C18H17ClN2O5
  80. Crystal structure of bis((3-bromosalicylidene)-ethylenediaminato-κ4N,N′,O,O′) nickel (II), C16H12Br2NiN2O2
  81. Crystal structure of trimethylsulfoxonium tetrachloridocobaltate(II) [(CH3)3SO]2CoCl4
https://doi.org/10.1515/ncrs-2019-0888
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Articles in the same Issue

  1. Frontmatter
  2. Crystal structure of bis [1-(phenylsulfonyl)-2-(1-(pyrazin-2-yl)ethylidene)hydrazin-1-ido-κ3N,N′,O]cobalt(II), C24H22N8O4S2Co
  3. The crystal structure of 1,3-bis(4-(methoxycarbonyl)benzyl)-2-methyl-1H-benzo[d]imidazol-3-ium bromide, C26H25BrN2O4
  4. Crystal structure of {tris((1H-benzo[d]imidazol-2-yl)methyl)amine-κ4N,N′,N′′,N′′′}-(nitrito-κ2O,O′)nickel(II) perchlorate – ethanol (1/1), C26H27ClN8NiO7
  5. Crystal structure of catena-poly[aqua[(μ2-4,5-dicarboxylato-2-(2-carboxylatophenyl)imidazol-1-ido-κ4N,O,O′:N′)](μ2-4,4′-bipyridine-κ2N:N′)dicopper(II)], C22H14Cu2N4O7
  6. Crystal structure of chlorido-tris(4-methylbenzyl-κC)-(triphenylarsine oxide-κO)tin(IV), C42H42AsClOSn
  7. The crystal structure of 4,4′-bipyridinium bis(3-carboxy-2-nitrobenzoate) tetrahydrate, C13H13N2O8
  8. Crystal structure of 1-(3-chlorophenyl)-4-(4-(((2,3-dihydro-1H-inden-5-yl)oxy)methyl)phenethyl)piperazine, C28H31ClN2O
  9. Crystal structure of catena-poly[diaqua-bis(μ2-5,5′-(1H-imidazole-4,5-diyl)bis(tetrazol-2-ido)-κ4N,N′:N′′,N′′′)magnesium], C10H8N20O2Mg
  10. The crystal structure of (E)-2-((2-hydroxy-4-ethoxybenzylidene)amino)-2-methylpropane-1,3-diol monohydrate, C13H21NO5
  11. Crystal structure of catena-poly[diaqua-(μ2-bipyridine-κ2N:N′)-bis(3,5-dichloroisonicotinato-κO)cadmium(II)] dihydrate, C22H20CdCl4N4O8
  12. The crystal structure of 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid, C13H15ClO2
  13. Redetermination of the crystal structure of yttrium(III) trinitrate(V) pentahydrate, Y(NO3)3 ⋅ 5 H2O, H10N3O14Y
  14. Crystal structure of catena-poly[di-μ2-chlorido-1,10-phenanthroline-κ2N,N′-cadmium(II)], C12H8Cl2CdN2
  15. Crystal structure of 4-((2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)oxy)benzoic acid, C13H9F3N2O3
  16. Crystal structure of 3-acetyl-4-hydroxybenzoic acid, C18H16O8
  17. Crystal structure of bis(N,2-bis(4-ethoxybenzylidene)hydrazine-1-carbohydrazonothioato-κ2N,S)nickel(II) — N,N-dimethylformamide (1/2), C44H56N10S2O6Ni
  18. The crystal structure of 5-chloro-4,6-dimethoxypyrimidin-2-amine, C6H8ClN3O2
  19. Crystal structure of poly[aqua-(μ4-benzene-1,2,4,5-tetracarboxylato-κ4O,O′,O′′,O′′′)bis(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole-κ2N:N)dinickel(II)], NiC17H14N5O5
  20. Crystal structure of poly[aqua(5-dimethylamino)naphthalene-1-sulfonato-κ2N:O)(μ2-4,4′-bipyridyl -κ2N:N′)silver(I)], C44H44Ag2N6O8S2
  21. Crystal structure of 1-[3-(trifluoromethyl)cinnamoyl]-3-(pyridin-2-yl-κN)pyrazole-κ2N-bis(2-phenylpyridinato-k2C,N)iridium(III) hexafluorophosphate complex, [C40H28F3IrN5O]PF6
  22. Crystal structure of catena-poly[aqua(μ6-piperazine-1,4-bisethanesulfonato-κ6N:N′:O:O′:O′′:O′′′)(μ2-pyrazinyl-κ2N:N′)disilver(I)sesquihydrate], C12H30Ag2N4O11S2
  23. Crystal structure of (E)-1-(2-nitrophenyl)-N-(o-tolyl)methanimine, C14H12N2O2
  24. Crystal structure of 4′-amino-3′,5′-diisopropyl-(1,1′-biphenyl)-4-carbonitrile, C19H22N2
  25. The crystal structure of poly[bis(N,N-dimethylformamide-κ1O)-tetrakis(μ2-cyanido-κ2C:N)dinickel(II)], C10H14N6O2Ni2
  26. Crystal structure of rac-trans-N,N′-bis(3-bromo-5-chlorosalicylidene)-1,2-cyclohexanediamine, C20H18Br2Cl2N2O2
  27. Crystal structure of rac-trans-N,N′-bis(3,5-dibromosalicylidene)-1,2-cyclohexanediamine, C20H18Br4N2O2
  28. The crystal structure of (dichromato-κ2O,O′)bis(1,10-phenanthroline-κ2N,N′)nickel(II), C12H16N4O7Cr2Ni
  29. The crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridozincate(II) monohydrate, C10H18Cl4ZnN2O
  30. Crystal structure of bis(μ2-azido-k2N,N)-bis(2-amino-1-(N-(3-bromosalicylaldiminato))ethane)-dicopper(II), C20H18Br4N2O2
  31. Crystal structure of (η6-1-methyl-4-isopropylbenzene)-[5-bromo-2-(2-pyridyl)phenyl-κ2C,N]-chloro-ruthenium(II), C21H21BrClNRu
  32. Crystal structure of N-(methyl(oxo)(1-(6-(trifluoromethyl)pyridin-3-yl)ethyl)-λ6-sulfanylidene)cyanamide, C10H10F3N3OS
  33. Crystal structure of 6,6′-((cyclohexane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2-bromo-4-chlorophenolato-κ4N,N′,O,O′)nickel(II), C20H16Br2Cl2NiN2O2
  34. Redetermination of the crystal structure of catena-poly[aqua-(1,10-phenanthroline-κ2N,N′)-(μ2-tetraoxidomolybdato(VI)-κ2O:O′)manganese(II) monohydrate, C12H12N2O6MoMn
  35. The crystal structure tetrakis(μ2-o-chlorobenzoato-κ2O:O′)-bis(methanol-κ1O)dirhodium(II), C30H24Cl4O10Rh2
  36. Crystal structure of bis(2,3-diphenyltetrazolidine-5-thione-κ1S)-(nitrato-κ1O)-(nitrato-κ2O,O′)lead(II), C26H20N10O6S2Pb
  37. Crystal structure of bis(3-bromo-N-(1-(3-methylpyrazin-2-yl)ethylidene)benzohydrazonato-κ3O,N,N′)cadmium(II) hemihydrate, C28H25N8O2.5Br2Cd
  38. Crystal structure of catena-poly[tetrakis(μ2-trifluoroacetato-κ2O:O′)(μ2-2,5-dimethylpyrazine-κ2N,N′)dicopper(II)], C7H4CuF6NO4
  39. The crystal structure of catena-poly[bis[3-azoniapentane-1,5-diammonium][bis(μ4-oxo)-tetrakis(μ3-oxo)-heptakis(μ2-oxo)-tetradecaoxo-octa-molybdenum] dihydrate], (C8H36N6O29Mo8)n
  40. Crystal structure of tetraaqua-bis(2-((3,5,6-trichloropyridin-2-yl)oxy)acetato-κO)-nickel(II)—diaqua-bis(2-((3,5,6-trichloropyridin-2-yl)oxy)acetato-nickel(II), C28H24Cl12N4Ni2O18
  41. The crystal structure of bis(2-hydroxypyrimidinium) pentachloridobismuthate(III), (C4N2H5O)2BiCl5
  42. The crystal structure of catena-poly[(μ2-4,4′-dipyridine-κ2N,N′)-bis(3,5,6-trichloropyridine-2-oxyacetato-κO)-bis(ethanol-κO)nickel(II)], C28H26Cl6N4NiO8
  43. Crystal structure and anti-inflammatory activity of (3E,5E)-1-((4-chlorophenyl)sulfonyl)-3,5-bis(4-fluorobenzylidene)piperidin-4-one-dichloromethane (1/1), C26H20Cl3F2NO3S
  44. The crystal structure of 5-bromopicolinic acid monohydrate, C6H6BrNO3
  45. The crystal structure of 2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-8H-indeno[1,2-d]thiazole, C25H17BrFN3S
  46. The crystal structure of catena-poly[(μ2-2-((3-bromo-2-oxidobenzylidene)amino)acetato-κ4O,N,O′:O′′)-(dimethylformamide-κ1O)]zinc(II), C12H13N2O4BrZn
  47. Crystal structure of aqua-azido-κ1N-(6,6′-((propane-1,3-diylbis(azanylylidene))bis(methanylylidene))bis(3-bromophenolato)-κ4N,N′,O,O′iron(III), C17H16Br2FeN5O3
  48. The crystal structure of tris(1-ethylimidazole-κ1N)-(sulfato-κ2O,O′)vanadium(IV), C15H24N6O5SV
  49. Crystal structure of (E)-3-methoxy-N′-(1-(pyridin-2-yl)ethylidene)benzohydrazide, C15H15N3O2
  50. Crystal structure of dichloro-bis-(1-butyl-1H-benzo[d]imidazole)-nickel(II), C22H28Cl2N4Ni
  51. The crystal structure of 2-(2,3-dimethoxyphenyl)-3-hydroxy-4H-chromen-4-one, C17H14O5
  52. The crystal structure of 5-(2-(4-fluorophenyl)hydrazono)-4-methyl-2-((3-(5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)methylene) hydrazono)-2,5-dihydrothiazole dimethylformamide monosolvate, C30H25FN10S⋅C3H7NO
  53. The crystal structure of 1,8-bis(pyridin-4-ylethynyl)anthracene-1,2,4,5-tetrafluoro-3,6-diiodobenzene (2/1), C62H32F4I2N4
  54. The crystal structure of 3,6-di-tert-butyl-1,8-diiodo-9-methyl-9H-carbazole, C21H25I2N
  55. The crystal structure of 8-((4-chlorophenylamino)methylene)-6,10-dioxaspiro[4.5]decane-7,9-dione, C15H14ClNO4
  56. The crystal structure of catena-poly[oktaaqua-bis(μ2-4,4′-ethene-1,2-diyldipyridine-κ2N:N′)-(μ2-3,3′-(1-oxidodiazene-1,2-diyl)diphthalato-κ2O:O′)dicobalt(II)] dihydrate, C28H36N4O19Co2
  57. Crystal structure of (E)-1-(2-cyano-3-oxo-1-phenylprop-1-en-1-yl)-3,7-diphenylindolizine-6-carbonitrile, C31H19N3O
  58. Crystal structure of 1,1′-bis(diphenylphosphino)ferrocene-(1,1′-bis(diphenylphosphino)ferrocene-κ2P,P′)-(O-isobutyl sulfurodithioito-κ2S,S′)copper(I), C39H37CuFeOP2S2
  59. Crystal structure of poly[(5-bimethylamino-1-naphthalenesulfonato-κO)-(μ3-hexamethylenetetramino-κ3N:N′:N′′)silver(I)] dihydrate, C36H52Ag2N10O8S2
  60. Crystal structure of poly[μ2-diaqua-(μ2-2-amino-4,5-dicyano-κ2N:N′-imidazol-1-ide)sodium(I)], C5H6N5O2Na
  61. Crystal structure of (1,3-propanediamine-κ2N,N′)(N-(3-aminopropyl)-α-methyl aspartato-κ4N,N′,O,O′)cobalt(III) chloride, C11H24ClCoN4O4
  62. Crystal structure and anti-inflammatory activity of (3E,5E)-3,5-bis(4-fluorobenzylidene)-1-((4-fluorophenyl)sulfonyl)piperidin-4-one-dichloromethane (1/1), C26H20Cl2F3NO3S
  63. Crystal structure of (S)-(+)-1-cyclohexylethylaminium chloride, C8H18NCl
  64. The crystal structure of tris(nitrato-κ2O,O′)-bis(4,4,5,5-tetramethyl-2-(o-pyridyl)imidazoline-1-oxyl 3-oxide-κ2N,O)yttrium(III), C24H32N9O13Y
  65. Hydrogen bonding versus packing effects in the crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetraiodidozincate(II), C10H16I4ZnN2
  66. Dimerization of 2-[(2-((2-aminophenyl)thio)phenyl)amino]-cyclohepta-2,4,6-trien-1-one through hydrogen bonding, C19H16N2OS
  67. Crystal structure of 1-(4-chloro-phenyl)-7-ethoxyl-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, C18H12ClF2NO4
  68. Crystal structure of 7-ethoxy-6,8-difluoro-4-oxo-1-pyridin-2-ylmethyl-1,4-dihydro-quinoline-3-carboxylic acid, C18H14F2N2O4
  69. Crystal structure of octahydro-7aR,8′R-dimethylspiro[isobenzofuran-4(1H), 4′ (3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-1′,3, 9′ (3aH,4′aH)-trione, C20H26O5
  70. Crystal structure of bis(5-ethoxy-2-(((1-hydroxy-2-methyl-3-oxidopropan-2-yl)imino)methyl)phenolato-κ3N,O,O’)manganese(IV) – methanol (1/1), C27H38MnN2O9
  71. Crystal structure of 8a,8a′′-oxybis(8aH-8,9-dioxa-3a1λ4-aza-8aλ4-borabenzo[fg]tetracene), C34H22B2N2O5
  72. Crystal structure of bromido-triphenyl-(triphenylarsine oxide-κO)tin(IV), C36H30AsBrOSn
  73. Crystal structure of catena-poly[chlorido-(μ2-formato-κ2O:O′)-(1,10-phenathroline-κ2N,N′)copper(II)], C26H18Cl2Cu2N4O4
  74. The crystal structure of poly[(μ10-5-carboxyisophthalato-κ10O)disodium], C9H4Na2O6
  75. The crystal structure of 3,5-difluoroisonicotinic acid, C6H3F2NO2
  76. The crystal structure of ethyl-1-(N-(adamantan-1-yl)-carbamothioyl)piperidine-4-carboxylate, C19H30N2O2S
  77. Crystal structure of 5-methyl-3-phenyl-1-tosyl-1,2,3,4-tetrahydropyridine, C19H21NO2S
  78. Crystal structure of bis((3-chlorosalicylidene)-ethylenediaminato-κ4N,N′,O,O′)nickel (II), C16H12Cl2NiN2O2
  79. Crystal structure of (E)-N′-(2-chloro-6-hydroxybenzylidene)-4-hydroxybenzohydrazide — dihydrofuran-2(3H)-one (1/1), C18H17ClN2O5
  80. Crystal structure of bis((3-bromosalicylidene)-ethylenediaminato-κ4N,N′,O,O′) nickel (II), C16H12Br2NiN2O2
  81. Crystal structure of trimethylsulfoxonium tetrachloridocobaltate(II) [(CH3)3SO]2CoCl4
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