Home Physical Sciences The crystal structure of tetrachlorido-bis{1,3-bis(2,6-diisopropylphenyl)-1H-3λ4-imidazol-2-yl}-(μ2-pyrimidine-κ2N:N′)dipalladium(IV) — dichloromethane (1/2), C60H80Cl8N6Pd2
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The crystal structure of tetrachlorido-bis{1,3-bis(2,6-diisopropylphenyl)-1H-3λ4-imidazol-2-yl}-(μ2-pyrimidine-κ2N:N′)dipalladium(IV) — dichloromethane (1/2), C60H80Cl8N6Pd2

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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 234 Issue 6

Abstract

C60H80Cl8N6Pd2, triclinic, P1̄ (no. 2), a = 10.8703(10) Å, b = 17.0284(15) Å, c = 18.9595(17) Å, α = 83.1960(10)°, β = 88.909(2)°, γ = 71.523(2)°, V = 3304.5(5) Å3, Z = 2, Rgt(F) = 0.0488, wRref(F2) = 0.1213, T = 130 K.

CCDC no.: 1940960

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 block
Size:0.12 × 0.08 × 0.05 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:0.91 mm−1
Diffractometer, scan mode:Bruker APEX-II, φ and ω
θmax, completeness:30.6°, >99%
N(hkl)measured, N(hkl)unique, Rint:33348, 20057, 0.050
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 11824
N(param)refined:701
Programs:Olex2 [1], SHELX [2], [3], Spek [4], Bruker [5]
Table 2:

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

AtomxyzUiso*/Ueq
Pd10.32675(3)0.80614(2)0.78631(2)0.01931(7)
Pd20.46962(3)0.45234(2)0.73397(2)0.01896(7)
Cl10.30881(9)0.79747(5)0.90750(4)0.0278(2)
Cl20.35011(9)0.81176(6)0.66556(5)0.0299(2)
Cl30.25522(9)0.52398(6)0.75020(5)0.0296(2)
Cl40.68336(9)0.38385(5)0.71236(5)0.02754(19)
N10.4663(3)0.68818(17)0.79806(15)0.0208(6)
N20.5260(3)0.54846(17)0.77164(14)0.0198(6)
N30.0635(3)0.93120(17)0.78850(15)0.0209(6)
N40.2070(3)0.99135(17)0.76020(15)0.0201(6)
N50.3872(3)0.30146(17)0.75799(14)0.0205(6)
N60.4342(3)0.32303(18)0.64774(15)0.0232(6)
C10.1920(3)0.9155(2)0.77674(17)0.0203(7)
C20.4243(3)0.3554(2)0.71040(17)0.0190(7)
C30.4484(4)0.6277(2)0.76470(18)0.0212(7)
H30.3750190.6420060.7336740.025*
C40.6312(3)0.5291(2)0.81383(18)0.0230(7)
H40.6900210.4738750.8184060.028*
C50.6560(4)0.5876(2)0.8508(2)0.0272(8)
H50.7306020.5733100.8808680.033*
C60.5698(3)0.6671(2)0.84285(19)0.0252(8)
H60.5831960.7078610.8692510.030*
C7−0.0010(4)1.0165(2)0.77892(19)0.0266(8)
H7−0.0914041.0431140.7836320.032*
C80.0880(4)1.0537(2)0.76188(19)0.0271(8)
H80.0730531.1120500.7525800.033*
C90.0006(3)0.8674(2)0.8043(2)0.0254(8)
C10−0.0207(4)0.8269(3)0.7473(2)0.0339(9)
C11−0.0806(5)0.7657(3)0.7634(3)0.0554(14)
H11−0.0947900.7357770.7267910.067*
C12−0.1191(6)0.7481(4)0.8306(3)0.0672(16)
H12−0.1607330.7066810.8399360.081*
C13−0.0984(5)0.7900(3)0.8861(3)0.0520(13)
H13−0.1258750.7768350.9325600.062*
C14−0.0378(4)0.8510(2)0.8736(2)0.0294(8)
C15−0.0186(4)0.8976(2)0.9337(2)0.0304(9)
H150.0537960.9206890.9210060.036*
C160.0166(4)0.8420(3)1.0047(2)0.0407(11)
H16A−0.0571640.8237711.0208390.061*
H16B0.0378740.8735681.0400120.061*
H16C0.0917580.7932010.9986090.061*
C17−0.1420(4)0.9709(3)0.9422(2)0.0434(11)
H17A−0.1591821.0099440.8984750.065*
H17B−0.1299020.9996470.9820540.065*
H17C−0.2156330.9498940.9514260.065*
C180.0162(4)0.8487(3)0.6717(2)0.0388(10)
H180.0934330.8682540.6738700.047*
C190.0531(5)0.7739(3)0.6290(3)0.0576(14)
H19A0.1164560.7263060.6563260.086*
H19B0.0910850.7883330.5839480.086*
H19C−0.0245940.7591950.6192920.086*
C20−0.0957(5)0.9214(3)0.6342(2)0.0568(14)
H20A−0.1743380.9050480.6338630.085*
H20B−0.0718060.9349150.5852000.085*
H20C−0.1118670.9704280.6596740.085*
C210.3300(3)1.0043(2)0.74054(19)0.0235(8)
C220.4183(4)0.9997(2)0.7951(2)0.0268(8)
C230.5369(4)1.0083(3)0.7747(2)0.0367(10)
H230.5997211.0047230.8101030.044*
C240.5655(4)1.0218(3)0.7042(2)0.0415(11)
H240.6482781.0260550.6915010.050*
C250.4747(4)1.0292(2)0.6520(2)0.0363(10)
H250.4948031.0407310.6036270.044*
C260.3534(4)1.0202(2)0.66863(19)0.0268(8)
C270.2554(4)1.0288(2)0.6106(2)0.0338(9)
H270.1957090.9971720.6288600.041*
C280.1732(5)1.1216(3)0.5922(2)0.0461(12)
H28A0.1297831.1432280.6348990.069*
H28B0.1080141.1262460.5555820.069*
H28C0.2299041.1539780.5744390.069*
C290.3165(5)0.9941(3)0.5434(2)0.0447(12)
H29A0.3599291.0315770.5187550.067*
H29B0.2489390.9894480.5122130.067*
H29C0.3801520.9388440.5559430.067*
C300.3837(4)0.9927(2)0.8726(2)0.0337(9)
H300.3105080.9688480.8774410.040*
C310.3358(5)1.0801(3)0.8961(2)0.0465(12)
H31A0.4041971.1062510.8889760.070*
H31B0.3139551.0761100.9465040.070*
H31C0.2586431.1139530.8678570.070*
C320.4959(5)0.9357(3)0.9208(3)0.0558(14)
H32A0.5343590.8831070.9006110.084*
H32B0.4631540.9242200.9681690.084*
H32C0.5618190.9631360.9245200.084*
C330.3782(4)0.2348(2)0.7254(2)0.0282(8)
H330.3558820.1881970.7474150.034*
C340.4068(4)0.2484(2)0.6571(2)0.0291(8)
H340.4080710.2133830.6214440.035*
C350.3506(3)0.3110(2)0.83094(18)0.0214(7)
C360.4490(4)0.2922(2)0.88326(18)0.0243(8)
C370.4103(4)0.2944(2)0.9533(2)0.0325(9)
H370.4742010.2818200.9900490.039*
C380.2811(4)0.3146(3)0.9708(2)0.0381(10)
H380.2571790.3148501.0192970.046*
C390.1862(4)0.3345(2)0.9180(2)0.0344(9)
H390.0975840.3485740.9308250.041*
C400.2182(4)0.3342(2)0.84649(19)0.0254(8)
C410.1120(4)0.3572(2)0.7897(2)0.0301(8)
H410.1512320.3684500.7429510.036*
C420.0010(4)0.4361(3)0.8020(3)0.0437(11)
H42A−0.0452640.4247410.8449240.066*
H42B−0.0591880.4527220.7610770.066*
H42C0.0363990.4811940.8079500.066*
C430.0572(5)0.2846(3)0.7848(3)0.0474(12)
H43A0.1264200.2361530.7714460.071*
H43B−0.0128410.3017440.7489470.071*
H43C0.0233700.2699330.8310710.071*
C440.5919(4)0.2685(2)0.86557(19)0.0273(8)
H440.5981570.2833760.8132920.033*
C450.6605(4)0.3178(2)0.9035(2)0.0343(9)
H45A0.6122510.3774740.8945270.051*
H45B0.7486770.3076820.8856220.051*
H45C0.6645020.2999270.9547230.051*
C460.6594(4)0.1745(2)0.8825(2)0.0420(11)
H46A0.6507550.1575280.9330500.063*
H46B0.7515580.1612820.8711200.063*
H46C0.6191210.1444620.8540020.063*
C470.4543(4)0.3619(2)0.57822(18)0.0242(8)
C480.3477(4)0.4261(2)0.54612(19)0.0309(9)
C490.3665(5)0.4588(3)0.4766(2)0.0400(11)
H490.2984910.5033270.4527200.048*
C500.4813(5)0.4275(3)0.4425(2)0.0431(11)
H500.4916490.4509800.3956350.052*
C510.5815(4)0.3625(3)0.4754(2)0.0368(10)
H510.6589910.3405360.4502650.044*
C520.5711(4)0.3284(2)0.54488(19)0.0297(8)
C530.6825(4)0.2560(2)0.5797(2)0.0346(9)
H530.6639490.2479130.6314500.041*
C540.8132(4)0.2718(3)0.5730(2)0.0442(11)
H54A0.8359130.2770580.5228080.066*
H54B0.8801060.2250160.5990960.066*
H54C0.8074280.3233680.5928900.066*
C550.6904(5)0.1755(3)0.5488(2)0.0491(12)
H55A0.6097360.1623080.5581500.074*
H55B0.7636480.1297350.5709510.074*
H55C0.7028190.1829860.4973690.074*
C560.2174(4)0.4539(3)0.5811(2)0.0356(10)
H560.2334300.4399140.6335480.043*
C570.1476(5)0.5486(3)0.5668(3)0.0516(13)
H57A0.2047790.5786590.5809830.077*
H57B0.0680020.5632380.5943420.077*
H57C0.1257610.5640860.5160840.077*
C580.1322(5)0.4051(3)0.5598(3)0.0557(13)
H58A0.1170210.4157080.5082050.084*
H58B0.0490780.4225890.5838560.084*
H58C0.1754250.3453880.5733760.084*
Cl50.09977(16)0.56877(10)0.97597(10)0.0889(6)
Cl60.37155(14)0.54195(9)0.94423(7)0.0637(4)
C590.2112(5)0.5988(3)0.9193(2)0.0522(13)
H59A0.1948870.5902490.8700260.063*
H59B0.1979510.6589170.9202130.063*
Cl70.3030(2)0.21462(14)0.43612(11)0.1153(8)
Cl80.22549(17)0.36718(10)0.33731(8)0.0739(4)
C600.3448(6)0.2885(4)0.3872(5)0.116(3)
H60A0.4120980.2612850.3541610.139*
H60B0.3859760.3151920.4192340.139*

Source of material

The title product was obtained by the previous methods reported by Lu and Shao’s groups [6], [7], [8], [9], [10], [11], [12], [13]. Under N2 atmosphere, a mixture of 1,3-bis(2,6-diisopropylphenyl)imidazolium chloride (0.275 mmol), PdCl2 (0.25 mmol), K2CO3 (0.375 mmol), THF (2.0 mL) and pyrimidine (0.5 mmol) was stirred at 80 °C for 12 h. The solvent was then removed under reduced pressure, and the residue was purified by careful flash chromatography on silica gel to give the title product in good yield as a yellow solid. Crystals of the title compound were obtained by recrystallization from dichloromethane and ethyl acetate.

Experimental details

All hydrogen atoms attached to C atoms were introduced using the HFIX command in the Olex 21.2 program [1], [2], [3]. The C—H distances in CH3 were restrained to 0.98 Å with Uiso values to be 1.5Ueq(C). Vinylic and aromatic C—H distances were restrained to 0.95 Å with Uiso values to be 1.2Ueq(C). The C—H distances in CH in the isopropyl groups were restrained to 1.00 Å with Uiso values to be 1.2Ueq(C) [4], [5].

Comment

During the past years, the groups of Lu and Shao have developed some N-heterocyclic carbene (NHC)-palladium(II) complexes having different N-containing ancillary ligands. In addition, they were found to be excellent catalysts in the cross-coupling of aryl chlorides, implying that subtle changing of the ancillary ligands, various efficient catalysts can be achieved [6], [7], [8], [9], [10], [11], [12], [13]. In 2012, Wang’s group reported the synthesis of a linear dinuclear NHC-Pd(II) complex using bidentate pyrazine as the ancillary ligand [14]. This result thus prompted to further synthesis similar NHC-Pd(II) complex using other bidentate ligand. Herein, we report the crystal structure of the title compound using pyrimidine as the ancillary ligand.

In the crystal structure, two nearly square-planar Pd(II) centers were found bridged by the bidentate pyrimidine ligand. Both palladium centers are coordinated by four ligands such as NHC, pyrimidine, and two chloro ligands in a slightly distorted square-planar geometry. Both palladium centers have the similar bond lengthes and bond angles. For example, the bond lengthes around the palladium centers are: Pd(1)—Cl(1) = 2.2934(9); Pd(1)—Cl(2) = 2.2927(9); Pd(1)—N(1) = 2.088(3); Pd(1)—C(1) = 1.961(3); Pd(2)—Cl(3) = 2.2965(9); Pd(2)—Cl(4) = 2.2991(9); Pd(2)—N(2) = 2.120(3); Pd(2)—C(2) = 1.966(3). The bond angles around the palladium centers are: Cl(1)—Pd(1)—Cl(2) = 178.38(4); N(1)—Pd(1)—Cl(1) = 89.04(8); N(1)—Pd(1)—Cl(2) = 89.40(8); C(1)—Pd(1)—Cl(1) = 90.08(10); C(1)—Pd(1)—Cl(2) = 91.49(10); Cl(3)—Pd(2)—Cl(4) = 177.29(4); N(2)—Pd(2)—Cl(3) = 90.57(8); N(2)—Pd(2)—Cl(4) = 89.43(8); C(2)—Pd(2)—Cl(3) = 91.04(10); C(2)—Pd(2)—Cl(4) = 89.29(10); C(2)—Pd(2)—N(2) = 173.02(12)°. In addition, the bond lengthes and bond angles are all comparable to those found in the pyrazine derived analogue [14], [15].

Acknowledgements

We acknowledge the financial support from Wenzhou University for the publication fee.

References

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Received: 2019-06-05
Accepted: 2019-07-16
Published Online: 2019-08-02
Published in Print: 2019-11-26

©2019 Xiao-Yun Zhao 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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  17. Crystal structure of ethyl (Z)-(4-oxo-4-phenylbut-2-en-2-yl)glycinate, C14H17NO3
  18. Halogen bonds in the crystal structure of 5-bromo-3,4′-bipyridine – 1,4-diiodotetrafluorobenzene (2/1), C26H14Br2F4I2N4
  19. Crystal structure of bis(2,2′-bipyridine-κ2N,N′)-tetrakis(μ2-3-(phenylsulfonamido)propanoato-κ2O:O′)-bis(3-(phenylsulfonamido)propanoato-κ2O,O′)digadolinium(III) – 2,2′-bipyridine (1/1), C84H84Gd2N12O24S6
  20. Crystal structure of poly[aqua(μ2-2-amino-1,4-benzenedisulfonato-κ2O:O′)bis(μ2-pyrazin-κ2N:N′)silver(I)], C14H16Ag2N5O8S2
  21. The crystal structure of 1,6-di-tert-butyl-1,1,3,3,4,4,6,6-octamethyl-2,2,5,5-tetrakis (trimethylsilyl)hexasilane, C28H78Si10
  22. Crystal structure of discandium triruthenium tetrasilicide, Sc2Ru3Si4
  23. Crystal structure of poly[(μ2-4-amino-1,5-naphthalenedisulfonato-κ4O,N:O′, N′)bis(μ2-hexamethylenetetramino-κ2N;N′)silver(I)], {C22H30Ag2N9O6S2}n
  24. Crystal structure of diaqua[5,5′-dicarboxy-2,2′-(propane-1,3-diyl)bis(1H-imidazole-4-carboxylato-κ4O,O′,N,N′)]zinc(II) dihydrate, C13H18N4O12Zn
  25. The crystal structure of poly [(μ3-N1,N4-bis(pyridin-3-yl)cyclohexane-1,4-dicarboxamide-κ3-O:N:N′)-(p-toluenesulfonato-κ2O,O′)silver(I)], C25H27Ag1N4O5S
  26. The crystal structure of 1,2-bis(3-bromophenoxy) ethane, C14H12Br2O2
  27. The crystal structure of 4-(pyren-1-yl)butyl-3-nitrobenzoate, C27H21NO4
  28. Crystal structure of bis[(2-(4-chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylato-κ1O) (5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′)]nickel(II), C40H60Cl2N4NiO8
  29. The crystal structure of 1,5-dinitro-2,3,4-trichlorobenzene, C6H1Cl3N2O4
  30. The crystal structure of the solid solution of 3,5-dinitropyrazole and 4-chlorine-3,5-dinitropyrazole, C3H1.24Cl0.76N4O4
  31. The cocrystal structure of 4-nitropyrazole — acetic acid (1/1), C5H7N3O4
  32. The crystal structure of propan-2-one O-(2,4,6-trinitrophenyl) oxime, C9H8N4O7
  33. The crystal structure of ethyl 2-(3-(2-ethoxy-2-oxoethyl)benzo[d] thiazol-2(3H)-ylidene)acetate, C15H17NO4S
  34. Crystal structure of (acetic acid-κ1O)-bis(μ2-2-chlorobenzoato-κ2O:O′)-(2-chlorobenzoato-κ1O)-(μ2-hydroxy-κ2O:O)-bis(1,10-phenanthroline-κ2N,N′)dimanganese(II) — methanol (1/1), C48H37Cl3Mn2N4O10
  35. Crystal structure of 3-methyl-2-phenyl-1,8-naphthyridine, C15H12N2
  36. Crystal structure of chlorido-(5-acetyl-2-(5-methylpyridin-2-yl)benzen-1-ido-κ2C,N)-pyridine-κN-palladium(II), C19H17ClN2OPd
  37. Crystal structure of (4-methyl-benzoato-κ2O,O′)-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′)nickel(II) perchlorate monohydrate, C24H45ClN4NiO7
  38. Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ6O6) 1,2,3,4,5-pentamethyl-cyclopenta-2,4-dien-1-yl(potassium, rubidium) — ammonia (1/2), [K0.3Rb0.7(18-crown-6)]Cp*⋅2 NH3, C22H45K0.3N2O6Rb0.7
  39. Crystal structure of (3E,5E)-1-((4-fluorophenyl)sulfonyl)-3,5-bis(3-nitrobenzylidene)piperidin-4-one — dichloromethane (2/1), C51H38Cl2F2N6O14S2
  40. Crystal structure of (E)-N′-((1,6-dihydropyren-1-yl)methylene)isonicotinohydrazide — methanol (1/1), C24H19N3O2
  41. Crystal structure of poly[aqua(μ2-2-amino-1,4-benzenedisulfonato-κ3N,O:O′)-(μ4-hexamethylenetetramino-κ4N:N′:N′′:N′′′)disilver(I)] monohydrate, C12H21Ag2N5O8S2
  42. Crystal structure of bis(acridin-10-ium) 2,5-dihydroxyterephthalate — 2,5-dihydroxyterephthalic acid (1/1), C21H15NO6
  43. The crystal structure of 1,12-diazaperylene, C18H10N2
  44. Crystal structure of 1-(5-(4-chlorophenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one, C17H14N2OFCl
  45. Crystal structure of (4aR,6aR,6bR,10S,12aR)-10-acetoxy-1,2,3,4, 4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a, 12b,13,14b-icosahydro-2,2,4a,6b,9,9,12a-heptamethylpicene-6a-carboxylic acid, C32H50O4
  46. The crystal structure of tetrachlorido-bis{1,3-bis(2,6-diisopropylphenyl)-1H-3λ4-imidazol-2-yl}-(μ2-pyrimidine-κ2N:N′)dipalladium(IV) — dichloromethane (1/2), C60H80Cl8N6Pd2
  47. The crystal structure of (E)-4-(7-methoxy-2-oxo-2H-chromen-8-yl)-2-methylbut-2-en-1-yl 4-nitrobenzoate, C22H19NO7
  48. Crystal structure of 3-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine, C11H12N4
  49. The crystal structure of 2,5-dichloroterephthalic acid dihydrate, C8H8Cl2O6
  50. The crystal structure of 2,4,6-tris[4-(1H-imidazol-1-yl)phenyl]-1,3,5-triazine — dimethylformamide (1/1), C33H28N10O
  51. Crystal structure of N-(adamantan-1-yl)-5-(dimethylamino)naphthalene-1-sulfonamide, C22H28N2O2S
  52. Crystal structure of poly[diaqua-(μ4-4-(3,5-dicarboxy-κ1O-phenoxy)phthalato-κ3O:O′:O′)cadmium(II)], C16H12CdO11
  53. Crystal structure of poly[diaqua-bis(μ2-3-((1H-imidazol-1-yl)methyl)benzoato-κ2N:O)manganese(II)], C22H22MnN4O6
  54. Crystal structure of 9-(3-phenoxyphenyl)-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione, C25H23NO3
  55. The crystal structure of poly[(μ3-2,4,6-tris[4-(1H-imidazol-1-yl)phenyl]-1,3,5-triazine-k3N:N′:N′′)-(nitrato-k2O,O)-(nitrato-k1O)zinc(II)] - N,N-dimethylacetamide (1/2), C38H39N13O8Zn
  56. Crystal structure of poly[(μ7-4-(3,5-dicarboxylatophenoxy)phthalato)-(1,10-phenanthroline-κ2N,N′)dizinc(II)], C28H14N2O9Zn2
  57. The crystal structure of methyl 2-(benzylamino)-5-(benzyloxy)benzoate, C22H21NO3
  58. Crystal structure of (1,4,8,11-tetraazacyclotetradecane)palladium(II) tetracyanoplatinate(II), C14H24N8PdPt
  59. Crystal structure of (pyridine-2-carboxylato-κ2N,O)-[2-(2-pyridyl)phenyl-κ2N,C1]palladium(II), C17H12N2O2Pd
  60. Crystal structure of (cyclohexane-1,4-diammonium) 4-[(4-carboxylatophenyl)disulfanyl]benzoate dimethylsulphoxide hydrate (1/1/1/1), [C6H16N2]2+[C14H8O4S2]2−⋅C2H6OS⋅H2O
  61. Crystal structure of the 2:1 co-crystal 2-[(2-carboxyphenyl)disulfanyl]benzoic acid – 3-bromobenzoic acid, 2(C14H10O4S2)⋅C7H5BrO2
  62. Crystal structure of chlorido-dimethyl-(phenylpiperazine-1-carbodithioato-κ2S,S′)tin(IV), C13H19ClN2S2Sn
  63. Crystal structure of (N-n-butyl, N-methyl-dithiocarbamato-κ2 S,S′)-chlorido-dimethyl-tin(IV), C8H18ClNS2Sn
  64. Crystal structure of (2,2′-bipyridyl)bis(4-bromobenzyl)dibromidotin(IV), C24H20Br4N2Sn
  65. Crystal structure of (2,2′-bipyridyl)bis(4-chlorobenzyl)dichloridotin(IV), C24H20Cl4N2Sn
  66. Crystal structure of N-methyl-N-phenyl(methylsulfanyl)carbothioamide, C9H11NS2
  67. Crystal structure of 4-phenylpiperazin-1-ium (4-phenylpiperazin-1-yl)carbothioylsulfanide, [C10H15N2][C11H13N2S2]
  68. Crystal structure of catena-{di-aqua-sodium [n-butyl(methyl)carbamothioyl]sulfanide}n, [C6H16NNaO2S2]n
  69. Crystal structure of (2-([1,1-bis(hydroxymethyl)-2-oxyethyl]iminomethyl)-5-(n-decyl)phenolato)-dimethyl-tin(IV), C23H39NO5Sn
  70. Crystal structure of 4-chloro-N′-[(1E)-(3-ethoxy-2-hydroxyphenyl)methylidene]benzohydrazide – a Z′ = 3 structure, C16H15ClN2O3
https://doi.org/10.1515/ncrs-2019-0391
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Articles in the same Issue

  1. Frontmatter
  2. Crystal structure of [aqua[2,2′-(1,2-phenylene)bis(1H-imidazole-4-carboxylato-5-carboxy)-κ4N3,N3′,O4,O4′] zinc(II)] monohydrate, C16H10N4O9Zn⋅H2O
  3. Crystal structure of ethyl 3-(4-methoxyphenyl)-5-methylcarbamoyl-1H-pyrazole-4-carboxylate, C15H17N3O4
  4. 7-(4-Fluorobenzylidene)-3-(4-fluorophenyl)-N-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide–dimethylformamide (2/1), C27H23F2N3S, 0.5(C3H7NO)
  5. Crystal structure of 4,4′-(hydrazonomethylene)diphenol dihydrate, C13H16N2O4
  6. Crystal structure of 4-methoxyphenyl-3-phenylpropiolate, C16H12O3
  7. Crystal Structure of tris(tetrakis{1-vinyl-1H-imidazole-κN}copper(II)) bis[tri-μ2-bromido-tetrabromido-bis(1-vinyl-1H-imidazole-κN)tetracopper(I)], C80H96N32Cu11Br14
  8. Crystal structure of (E)-2-(3,6-bis(diethylamino)-9H-xanthen-9-yl)-N′-(quinoxalin-2-ylmethylene)benzohydrazide, C37H36N6O2
  9. Crystal structure of 4-(1-phenylimidazo[1,5-a]pyridin-3-yl)benzoic acid (C20H14N2O2)
  10. Crystal structure of 3-fluoro-3-methyl-1-((2-nitrophenyl)sulfonyl)-5,5-diphenylpiperidine, C24H23FN2O4S
  11. Crystal structure of dimethyl 3,12-dibenzyl-6,10-diphenyl-3,12-diazapentacyclo [6.3.1.02.7.04.11.05.9]-dodecane-7,11-dicarboxylate — acetone (2/1), C40H38N2O2 ⋅ 0.5C3H6O
  12. Crystal structure of poly[(μ2-2-(1H-1,2,4-triazol-1-yl)benzoato-κ4O:O′:N:N′)silver(I)] monohydrate, C9H8AgO3N3
  13. Crystal structure of poly[(μ2-9H-carbazole-3,6-dicarboxylate-κ4O1,O2:O3,O4)(μ2-1,3-di(pyridin-4-yl)propane-κ2N:N′)cadmium(II)]monohydrate, C27H23N3O5Cd
  14. The synthesis and crystal structure of bis(2-(benzo[d]thiazol-2-yl)-5-methylbenzen-1-ido-κ2C,N)-(N,N′-diethyldithiocarbamato-κ2S,S′)iridium(III), C33H30N3S4Ir
  15. The crystal structure of 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethylsulfonyl)-1H-pyrazole-3-carboxamide, C12H6N4Cl2F6O3S
  16. Synthesis and crystal structure of poly[(μ2-nitrato-κ4O,O′:O′,O′′)-nitrato-κO-(μ2-1,4-bis((1H-imidazol-1-yl)methyl)benzene-κ2N:N′)cadmium(II)], C14H14N6O6Cd
  17. Crystal structure of ethyl (Z)-(4-oxo-4-phenylbut-2-en-2-yl)glycinate, C14H17NO3
  18. Halogen bonds in the crystal structure of 5-bromo-3,4′-bipyridine – 1,4-diiodotetrafluorobenzene (2/1), C26H14Br2F4I2N4
  19. Crystal structure of bis(2,2′-bipyridine-κ2N,N′)-tetrakis(μ2-3-(phenylsulfonamido)propanoato-κ2O:O′)-bis(3-(phenylsulfonamido)propanoato-κ2O,O′)digadolinium(III) – 2,2′-bipyridine (1/1), C84H84Gd2N12O24S6
  20. Crystal structure of poly[aqua(μ2-2-amino-1,4-benzenedisulfonato-κ2O:O′)bis(μ2-pyrazin-κ2N:N′)silver(I)], C14H16Ag2N5O8S2
  21. The crystal structure of 1,6-di-tert-butyl-1,1,3,3,4,4,6,6-octamethyl-2,2,5,5-tetrakis (trimethylsilyl)hexasilane, C28H78Si10
  22. Crystal structure of discandium triruthenium tetrasilicide, Sc2Ru3Si4
  23. Crystal structure of poly[(μ2-4-amino-1,5-naphthalenedisulfonato-κ4O,N:O′, N′)bis(μ2-hexamethylenetetramino-κ2N;N′)silver(I)], {C22H30Ag2N9O6S2}n
  24. Crystal structure of diaqua[5,5′-dicarboxy-2,2′-(propane-1,3-diyl)bis(1H-imidazole-4-carboxylato-κ4O,O′,N,N′)]zinc(II) dihydrate, C13H18N4O12Zn
  25. The crystal structure of poly [(μ3-N1,N4-bis(pyridin-3-yl)cyclohexane-1,4-dicarboxamide-κ3-O:N:N′)-(p-toluenesulfonato-κ2O,O′)silver(I)], C25H27Ag1N4O5S
  26. The crystal structure of 1,2-bis(3-bromophenoxy) ethane, C14H12Br2O2
  27. The crystal structure of 4-(pyren-1-yl)butyl-3-nitrobenzoate, C27H21NO4
  28. Crystal structure of bis[(2-(4-chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylato-κ1O) (5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′)]nickel(II), C40H60Cl2N4NiO8
  29. The crystal structure of 1,5-dinitro-2,3,4-trichlorobenzene, C6H1Cl3N2O4
  30. The crystal structure of the solid solution of 3,5-dinitropyrazole and 4-chlorine-3,5-dinitropyrazole, C3H1.24Cl0.76N4O4
  31. The cocrystal structure of 4-nitropyrazole — acetic acid (1/1), C5H7N3O4
  32. The crystal structure of propan-2-one O-(2,4,6-trinitrophenyl) oxime, C9H8N4O7
  33. The crystal structure of ethyl 2-(3-(2-ethoxy-2-oxoethyl)benzo[d] thiazol-2(3H)-ylidene)acetate, C15H17NO4S
  34. Crystal structure of (acetic acid-κ1O)-bis(μ2-2-chlorobenzoato-κ2O:O′)-(2-chlorobenzoato-κ1O)-(μ2-hydroxy-κ2O:O)-bis(1,10-phenanthroline-κ2N,N′)dimanganese(II) — methanol (1/1), C48H37Cl3Mn2N4O10
  35. Crystal structure of 3-methyl-2-phenyl-1,8-naphthyridine, C15H12N2
  36. Crystal structure of chlorido-(5-acetyl-2-(5-methylpyridin-2-yl)benzen-1-ido-κ2C,N)-pyridine-κN-palladium(II), C19H17ClN2OPd
  37. Crystal structure of (4-methyl-benzoato-κ2O,O′)-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′)nickel(II) perchlorate monohydrate, C24H45ClN4NiO7
  38. Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ6O6) 1,2,3,4,5-pentamethyl-cyclopenta-2,4-dien-1-yl(potassium, rubidium) — ammonia (1/2), [K0.3Rb0.7(18-crown-6)]Cp*⋅2 NH3, C22H45K0.3N2O6Rb0.7
  39. Crystal structure of (3E,5E)-1-((4-fluorophenyl)sulfonyl)-3,5-bis(3-nitrobenzylidene)piperidin-4-one — dichloromethane (2/1), C51H38Cl2F2N6O14S2
  40. Crystal structure of (E)-N′-((1,6-dihydropyren-1-yl)methylene)isonicotinohydrazide — methanol (1/1), C24H19N3O2
  41. Crystal structure of poly[aqua(μ2-2-amino-1,4-benzenedisulfonato-κ3N,O:O′)-(μ4-hexamethylenetetramino-κ4N:N′:N′′:N′′′)disilver(I)] monohydrate, C12H21Ag2N5O8S2
  42. Crystal structure of bis(acridin-10-ium) 2,5-dihydroxyterephthalate — 2,5-dihydroxyterephthalic acid (1/1), C21H15NO6
  43. The crystal structure of 1,12-diazaperylene, C18H10N2
  44. Crystal structure of 1-(5-(4-chlorophenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one, C17H14N2OFCl
  45. Crystal structure of (4aR,6aR,6bR,10S,12aR)-10-acetoxy-1,2,3,4, 4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a, 12b,13,14b-icosahydro-2,2,4a,6b,9,9,12a-heptamethylpicene-6a-carboxylic acid, C32H50O4
  46. The crystal structure of tetrachlorido-bis{1,3-bis(2,6-diisopropylphenyl)-1H-3λ4-imidazol-2-yl}-(μ2-pyrimidine-κ2N:N′)dipalladium(IV) — dichloromethane (1/2), C60H80Cl8N6Pd2
  47. The crystal structure of (E)-4-(7-methoxy-2-oxo-2H-chromen-8-yl)-2-methylbut-2-en-1-yl 4-nitrobenzoate, C22H19NO7
  48. Crystal structure of 3-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine, C11H12N4
  49. The crystal structure of 2,5-dichloroterephthalic acid dihydrate, C8H8Cl2O6
  50. The crystal structure of 2,4,6-tris[4-(1H-imidazol-1-yl)phenyl]-1,3,5-triazine — dimethylformamide (1/1), C33H28N10O
  51. Crystal structure of N-(adamantan-1-yl)-5-(dimethylamino)naphthalene-1-sulfonamide, C22H28N2O2S
  52. Crystal structure of poly[diaqua-(μ4-4-(3,5-dicarboxy-κ1O-phenoxy)phthalato-κ3O:O′:O′)cadmium(II)], C16H12CdO11
  53. Crystal structure of poly[diaqua-bis(μ2-3-((1H-imidazol-1-yl)methyl)benzoato-κ2N:O)manganese(II)], C22H22MnN4O6
  54. Crystal structure of 9-(3-phenoxyphenyl)-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione, C25H23NO3
  55. The crystal structure of poly[(μ3-2,4,6-tris[4-(1H-imidazol-1-yl)phenyl]-1,3,5-triazine-k3N:N′:N′′)-(nitrato-k2O,O)-(nitrato-k1O)zinc(II)] - N,N-dimethylacetamide (1/2), C38H39N13O8Zn
  56. Crystal structure of poly[(μ7-4-(3,5-dicarboxylatophenoxy)phthalato)-(1,10-phenanthroline-κ2N,N′)dizinc(II)], C28H14N2O9Zn2
  57. The crystal structure of methyl 2-(benzylamino)-5-(benzyloxy)benzoate, C22H21NO3
  58. Crystal structure of (1,4,8,11-tetraazacyclotetradecane)palladium(II) tetracyanoplatinate(II), C14H24N8PdPt
  59. Crystal structure of (pyridine-2-carboxylato-κ2N,O)-[2-(2-pyridyl)phenyl-κ2N,C1]palladium(II), C17H12N2O2Pd
  60. Crystal structure of (cyclohexane-1,4-diammonium) 4-[(4-carboxylatophenyl)disulfanyl]benzoate dimethylsulphoxide hydrate (1/1/1/1), [C6H16N2]2+[C14H8O4S2]2−⋅C2H6OS⋅H2O
  61. Crystal structure of the 2:1 co-crystal 2-[(2-carboxyphenyl)disulfanyl]benzoic acid – 3-bromobenzoic acid, 2(C14H10O4S2)⋅C7H5BrO2
  62. Crystal structure of chlorido-dimethyl-(phenylpiperazine-1-carbodithioato-κ2S,S′)tin(IV), C13H19ClN2S2Sn
  63. Crystal structure of (N-n-butyl, N-methyl-dithiocarbamato-κ2 S,S′)-chlorido-dimethyl-tin(IV), C8H18ClNS2Sn
  64. Crystal structure of (2,2′-bipyridyl)bis(4-bromobenzyl)dibromidotin(IV), C24H20Br4N2Sn
  65. Crystal structure of (2,2′-bipyridyl)bis(4-chlorobenzyl)dichloridotin(IV), C24H20Cl4N2Sn
  66. Crystal structure of N-methyl-N-phenyl(methylsulfanyl)carbothioamide, C9H11NS2
  67. Crystal structure of 4-phenylpiperazin-1-ium (4-phenylpiperazin-1-yl)carbothioylsulfanide, [C10H15N2][C11H13N2S2]
  68. Crystal structure of catena-{di-aqua-sodium [n-butyl(methyl)carbamothioyl]sulfanide}n, [C6H16NNaO2S2]n
  69. Crystal structure of (2-([1,1-bis(hydroxymethyl)-2-oxyethyl]iminomethyl)-5-(n-decyl)phenolato)-dimethyl-tin(IV), C23H39NO5Sn
  70. Crystal structure of 4-chloro-N′-[(1E)-(3-ethoxy-2-hydroxyphenyl)methylidene]benzohydrazide – a Z′ = 3 structure, C16H15ClN2O3
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