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The crystal structure of 2,4,6-tris[4-(1H-imidazol-1-yl)phenyl]-1,3,5-triazine — dimethylformamide (1/1), C33H28N10O

  • Hao Cui , Xin-Ting Yan , Wenya Chen and Tao Yang ORCID logo EMAIL logo
Published/Copyright: September 11, 2019
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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 234 Issue 6

Abstract

C33H28N10O, triclinic, P1̄ (no. 2), a = 14.7148(9) Å, b = 15.5185(10) Å, c = 16.1128(9) Å, α = 113.219(6)°, β = 96.735(5)°, γ = 115.259(6)°, V = 2872.0(3) Å3, Z = 4, Rgt(F) = 0.0426, wRref(F2) = 0.1108, T = 150(2) K.

CCDC no.: 1918542

The molecular structure is shown in the figure (The second crystallographic independent title molecule as well as the two DMF solvent molecules – also present in the asymmetric unit - are not shown for clarity.). 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:0.25 × 0.20 × 0.10 mm
Wavelength:Cu Kα radiation (1.54178 Å)
μ:0.70 mm−1
Diffractometer, scan mode:Xcalibur, Sapphire3, ω
θmax, completeness:62.6°, 97%
N(hkl)measured, N(hkl)unique, Rint:14896, 8933, 0.029
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 6705
N(param)refined:797
Programs:CrysAlisPRO [1], SHELX [2], [3], Diamond [4]
Table 2:

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

AtomxyzUiso*/Ueq
O10.57172(17)0.65629(15)0.12856(14)0.0652(5)
O2−0.13790(13)0.45860(15)0.39976(14)0.0618(5)
N190.42517(18)0.49117(17)0.08459(16)0.0574(5)
N200.03734(14)0.56812(14)0.42334(13)0.0408(4)
N10.18539(12)0.81656(12)0.28446(10)0.0250(3)
N20.13234(12)0.75775(12)0.11714(10)0.0264(3)
N30.29172(12)0.92712(12)0.22555(10)0.0251(3)
N40.33311(12)0.90493(12)−0.17205(10)0.0262(3)
N50.41895(13)0.98654(13)−0.24828(11)0.0332(4)
N60.58439(12)1.22399(12)0.67060(10)0.0266(3)
N70.67483(13)1.30260(13)0.82606(11)0.0343(4)
N8−0.27986(12)0.38495(12)0.12348(10)0.0254(3)
N9−0.44086(13)0.23301(13)0.04350(11)0.0319(4)
N100.66604(12)0.79338(12)0.76520(11)0.0281(3)
N110.73057(12)0.84086(12)0.65195(11)0.0264(3)
N120.84019(12)0.94697(12)0.81649(10)0.0258(3)
N130.26859(12)0.42451(12)0.36708(11)0.0284(3)
N140.11009(14)0.27015(14)0.28639(12)0.0394(4)
N151.13073(12)1.22249(12)0.64105(11)0.0279(3)
N161.19590(14)1.31998(14)0.56949(12)0.0373(4)
N170.81651(12)0.98023(12)1.22184(11)0.0269(3)
N180.88457(14)1.07598(15)1.38159(12)0.0394(4)
C610.4852(3)0.4547(2)0.1257(2)0.0711(8)
H61A0.4597110.4418770.1756500.107*
H61B0.5614180.5111080.1540140.107*
H61C0.4747150.3864310.0750930.107*
C620.3122(2)0.4139(2)0.0313(2)0.0683(7)
H62A0.3024640.351476−0.0261110.102*
H62B0.2799840.4499500.0121060.102*
H62C0.2774690.3880720.0719430.102*
C630.4753(2)0.5884(2)0.08997(19)0.0577(6)
H630.4323990.6074760.0610750.069*
C640.0399(3)0.4805(2)0.3471(2)0.0679(7)
H64A−0.0280260.4115030.3222080.102*
H64B0.0987970.4735890.3722500.102*
H64C0.0504890.4972240.2950720.102*
C650.1345(2)0.6728(2)0.4774(2)0.0610(7)
H65A0.1884340.6661550.5117390.092*
H65B0.1208240.7254790.5237460.092*
H65C0.1606340.6985060.4335200.092*
C66−0.0528(2)0.5488(2)0.44358(18)0.0500(6)
H66−0.0516260.6077180.4946090.060*
C10.27136(14)0.90635(14)0.29663(12)0.0229(4)
C20.35099(14)0.98837(14)0.39442(12)0.0238(4)
C30.34123(15)0.97373(15)0.47335(13)0.0284(4)
H30.2809480.9098220.4648180.034*
C40.41736(15)1.05017(15)0.56398(13)0.0281(4)
H40.4098741.0380290.6167950.034*
C50.50493(14)1.14489(14)0.57752(12)0.0242(4)
C60.51487(15)1.16109(15)0.49943(13)0.0291(4)
H60.5741451.2259360.5082790.035*
C70.43923(15)1.08363(15)0.40921(13)0.0277(4)
H70.4473921.0953630.3562870.033*
C80.59155(16)1.21552(16)0.75199(13)0.0311(4)
H80.5418391.1535610.7547430.037*
C90.72516(17)1.37061(16)0.79081(14)0.0367(5)
H90.7888261.4405800.8277690.044*
C100.67181(17)1.32443(16)0.69669(14)0.0368(5)
H100.6906381.3549860.6561620.044*
C110.22200(14)0.84917(14)0.13733(12)0.0232(4)
C120.24718(14)0.86438(14)0.05610(12)0.0240(4)
C130.34150(14)0.95655(15)0.07384(13)0.0261(4)
H130.3873581.0105100.1382800.031*
C140.36926(14)0.97060(14)−0.00058(13)0.0259(4)
H140.4337101.0339060.0126180.031*
C150.30256(15)0.89173(15)−0.09521(13)0.0251(4)
C160.20743(15)0.80054(15)−0.11398(13)0.0302(4)
H160.1610360.747431−0.1784320.036*
C170.18021(15)0.78698(15)−0.03900(13)0.0299(4)
H170.1151310.724228−0.0523260.036*
C180.40805(15)1.00043(15)−0.16532(13)0.0279(4)
H180.4475151.068774−0.1072190.033*
C190.34822(17)0.87675(17)−0.31157(14)0.0373(5)
H190.3381190.841866−0.3781680.045*
C200.29509(17)0.82496(16)−0.26724(13)0.0353(5)
H200.2425730.749412−0.2954490.042*
C210.11747(14)0.74657(14)0.19359(12)0.0235(4)
C220.01673(14)0.64977(14)0.17524(13)0.0252(4)
C23−0.05067(16)0.56667(16)0.08205(13)0.0315(4)
H23−0.0301420.5709860.0294200.038*
C24−0.14665(16)0.47810(16)0.06423(14)0.0335(4)
H24−0.1903090.4208690.0001270.040*
C25−0.17904(14)0.47313(14)0.14062(13)0.0251(4)
C26−0.11287(15)0.55588(15)0.23432(13)0.0281(4)
H26−0.1348180.5529910.2867900.034*
C27−0.01544(15)0.64213(15)0.25122(13)0.0281(4)
H270.0302570.6969880.3155010.034*
C28−0.35669(15)0.30204(15)0.03566(13)0.0280(4)
H28−0.3495110.295548−0.0240160.034*
C29−0.41702(16)0.27148(16)0.14119(14)0.0326(4)
H29−0.4631540.2374230.1694120.039*
C30−0.31959(16)0.36382(16)0.19136(14)0.0319(4)
H30−0.2853960.4056160.2592180.038*
C310.76109(14)0.87840(14)0.83269(13)0.0247(4)
C320.77861(14)0.90034(14)0.93283(13)0.0254(4)
C330.69888(15)0.83522(15)0.95673(13)0.0289(4)
H330.6347370.7724940.9071460.035*
C340.71158(15)0.86033(15)1.05103(13)0.0294(4)
H340.6561930.8152561.0659070.035*
C350.80511(14)0.95132(15)1.12436(13)0.0258(4)
C360.88713(15)1.01502(16)1.10170(13)0.0308(4)
H360.9525431.0755921.1511640.037*
C370.87317(15)0.98997(16)1.00721(14)0.0301(4)
H370.9290401.0346190.9924370.036*
C380.89546(16)1.07536(17)1.30185(14)0.0348(4)
H380.9516081.1340951.2997750.042*
C390.79441(16)0.97643(18)1.35205(14)0.0356(5)
H390.7662150.9529861.3943650.043*
C400.75129(16)0.91650(17)1.25532(14)0.0321(4)
H400.6891290.8453931.2178860.038*
C410.82059(14)0.92540(14)0.72493(12)0.0244(4)
C420.90241(14)1.00157(15)0.70320(13)0.0254(4)
C430.88365(15)0.98521(15)0.60973(13)0.0275(4)
H430.8190100.9238180.5597900.033*
C440.95871(15)1.05796(15)0.58959(13)0.0275(4)
H440.9453591.0467610.5259790.033*
C451.05343(15)1.14723(15)0.66203(13)0.0262(4)
C461.07278(15)1.16514(15)0.75557(13)0.0285(4)
H461.1372641.2269350.8054210.034*
C470.99723(15)1.09212(15)0.77548(13)0.0275(4)
H471.0103711.1040560.8393280.033*
C481.10997(16)1.24122(15)0.56664(13)0.0311(4)
H481.0415651.2018660.5187990.037*
C491.27594(16)1.35337(17)0.64857(14)0.0362(5)
H491.3482751.4097060.6689600.043*
C501.23790(15)1.29520(16)0.69359(14)0.0341(4)
H501.2771841.3030110.7498980.041*
C510.65583(15)0.77769(14)0.67564(13)0.0257(4)
C520.55456(15)0.68584(15)0.59667(13)0.0268(4)
C530.45988(16)0.63714(16)0.61373(13)0.0328(4)
H530.4604540.6619760.6780360.039*
C540.36510(16)0.55334(16)0.53880(14)0.0340(4)
H540.3006620.5229830.5514630.041*
C550.36481(15)0.51389(14)0.44491(13)0.0275(4)
C560.45833(16)0.56092(16)0.42677(13)0.0323(4)
H560.4581990.5339730.3625740.039*
C570.55182(15)0.64698(16)0.50191(14)0.0322(4)
H570.6151640.6801030.4886850.039*
C580.18675(16)0.34059(15)0.36996(14)0.0330(4)
H580.1857010.3341980.4261440.040*
C590.14318(17)0.30950(17)0.22578(14)0.0392(5)
H590.1034650.2754240.1596440.047*
C600.24011(17)0.40346(16)0.27322(14)0.0351(5)
H600.2802650.4461270.2473580.042*

Source of material

Procedures for preparation of 2,4,6-tris[4-(1H-imidazol-1-yl)phenyl]-1,3,5-triazine (TIPT) adapted from the reported paper [11]. The characrization of TIPT was performed by comparison of its 1H NMR and IR spectrum with those reported previously. 1H-NMR (300 MHz, DMSO-d6): δ [ppm] 8.80 (d, J = 8.7 Hz, 6H), 8.46 (s, 3H), 7.96–7.87 (m, 9H), 7.18 (s, 3H); IR (cm−1): 1604(s), 1522(vs), 1487(s), 1400(w), 1303(s), 1261(m), 1108(w), 1057(vs), 962(m), 904(w), 825(s), 730(m), 695(m), 638(w), 588(m).

The crystal of N,N-dimethylformamide solvate 2,4,6-tris[4-(1H-imidazol-1-yl)phenyl]-1,3,5-triazine was synthesized by the following procedure. 3 mL of acetonitrile was layered onto a solution of TIPT (10 mg) in 3 mL N,N-dimethylformamide in a test tube. Colorless crystals were formed after several days. Yield: 60%.

Experimental details

Single-crystal X-ray diffraction data for the title structure was collected on Oxford Diffraction Xcalibur CCD diffractometer [1]. The structure was solved with the ShelXT [2] structure solution program and refined with XL [3] refinement package. The positions of the hydrogen atoms were generated geometrically. The figure was drawn by Diamond 4.0 [4].

Comment

Triangle rigid ligand play an importment role in the field for construction of metal-organic frameworks (MOFs). As a triangle rigid ligand, 1,3,5-tris(pimidazol-ylphenyl)-benzene (TIPB) was used for construction of more than 20 reported structures [5], [6], [7], [8], [9], [10]. However, as a similar triangle rigid ligand, there are only 3 structures related to 2,4,6-tris[4-(1H-imidazol-1-yl)phenyl]-1,3,5-triazine (TIPT) reported [11], [12].

The title compound crystallized in space group P1̄ and an asymmetric unit contains two TIPT and two N,N-dimethylformamide molecules. The bond lengths and angles within these moieties are in the expected ranges. Viewing imidazole ring closer for C—N bond, the distance of C8—N6, C18—N4, C28—N8, C38—N17, C48—N15, C58—N16 is 1.365(2) Å, 1.369(2) Å, 1.372(2) Å, 1.369(3) Å, 1.371(2) Å and 1.368(2) Å, respectively. For C=N bond, the distance of C8—N7, C18—N5, C28—N9, C38—N18, C48—N16, C58—N14 is 1.313(3) Å, 1.308(2) Å, 1.307(2) Å, 1.310(3) Å, 1.311(2) Å and 1.308(2) Å, respectively. The angle of is N6—C8—N7, N4—C18—N5, N8—C28—N9, N17—C38—N18, N15—C48—N16, N13—C58—N14 is 112.45(16)°, 112.09(16)°, 112.30(15)°, 112.18(17)°, 111.83(17)°, 112.19(17)°, respectively.

In the structure of the title compound, there are many different π⋯π interactions. First, we define that 5-membered ring N4—C18—N5—C19—C20 is named Ring 2(R1), 5-membered ring N6—C8—N7—C9—C10 is named Ring 2(R2), 5-membered ring N8—C28—N9—C29—C30 is named Ring 3(R3), 6-membered ring N1—C1—N3—C11—N2—C21 is named Ring 4(R4), 6-membered ring C2—C3—C4—C5—C6—C7 is named Ring 5(R5), 6-membered ring C12—C13—C14—C15—C16—C17 is named Ring 6(R6), 5-membered ring N13—C58—N14—C59—C60 is named Ring 7(R7), 5-membered ring N17—C38—N18—C39—C40 is named Ring 8(R8), 6-membered ring N10—C31—N12—C41—N11—C51 is named Ring 9(R9), 6-membered ring C32—C33—C34—C35—C36—C37 is named Ring 10(R10), 6-membered ring C42—C43—C44—C45—C46—C47 is named Ring 11(R11). The distance of center-to-center between two rings for CR1—CR8, CR2—CR4, CR3—CR6, CR4—CR11, CR5—CR5, CR6—CR10, CR7—CR9 and CR8—CR11 is 3.6798(2) Å, 3.5902(2) Å, 3.5678(2) Å, 3.8136(2) Å, 3.6402(2) Å, 3.6263(2) Å, 3.5978(2) Å and 3.5750(2) Å, respectively. π-π interactions connect the structure to a three dimensional framework. Void space between TIPT molecules in the structure are occupied by N,N-dimethylformamide solvent molecules.

Acknowledgements

We gratefully acknowledge the financial support from Doctoral Scientific Research Foundation of Guangxi University of Chinese Medicine (XB017022) and Cultivating High-level Talent Teams in the Qi Huang Project of Guangxi University of Chinese Medicine, China (2018002). Xin-Ting Yan is supported by Undergraduate Student Scientific Research Training Project of Guangxi University of Chinese Medicine (2018DXS17).

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Received: 2019-06-12
Accepted: 2019-08-25
Published Online: 2019-09-11
Published in Print: 2019-11-26

©2019 Hao Cui 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-2019-0401
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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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