Home The crystal structure of aqua{N,N,N′,N′-tetrakis[(1H-benzimidazol-κN3) methyl]cyclohexane-1,2-diamine}lead(II) diacetate–methanol (1/2), C44H54N10O7Pb
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The crystal structure of aqua{N,N,N′,N′-tetrakis[(1H-benzimidazol-κN3) methyl]cyclohexane-1,2-diamine}lead(II) diacetate–methanol (1/2), C44H54N10O7Pb

  • Ji Li ORCID logo EMAIL logo and Ming-Zhi Miao
Published/Copyright: August 20, 2020
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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 235 Issue 6

Abstract

PbC44H54N10O7, triclinic, P1̄ (no. 2), a = 12.096(2) Å, b = 12.916(2) Å, c = 16.5904(7) Å, α = 101.163(2)°, β = 110.634(2)°, γ = 100.698(2)°, V = 2287.0(4) Å3, Z = 2, Rgt(F) = 0.0604, wRref(F2) = 0.1409, T = 298(2) K.

CCDC no.: 2010990

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:0.16 × 0.12 × 0.10 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:3.7 mm−1
Diffractometer, scan mode:Bruker APEX2, φ and ω
θmax, completeness:56.6°, 99%
N(hkl)measured, N(hkl)unique, Rint:7966, 7966,
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 7079
N(param)refined:566
Programs:Bruker [1], SHELX [2], [3], [4], Diamond [5], Olex2 [6]
Table 2:

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

AtomxyzUiso*/Ueq
Pb10.50164(3)0.75760(2)0.74428(2)0.04121(13)
C10.6977(7)0.9397(6)0.6758(5)0.0436(19)
H10.74360.88610.66830.052*
C20.7253(9)1.0225(7)0.6264(6)0.062(2)
H2A0.67731.07450.62930.074*
H2B0.69990.98420.56370.074*
C30.8627(9)1.0862(8)0.6656(7)0.070(3)
H3A0.91101.03550.65910.084*
H3B0.87491.13900.63310.084*
C40.9047(10)1.1453(8)0.7639(7)0.072(3)
H4A0.86011.19930.77020.086*
H4B0.99161.18330.78890.086*
C50.8818(8)1.0631(8)0.8140(6)0.057(2)
H5A0.90811.10220.87670.068*
H5B0.93201.01320.81100.068*
C60.7468(7)0.9953(6)0.7780(5)0.0421(18)
H60.69941.04760.78540.050*
C70.5352(8)0.7917(7)0.5536(5)0.051(2)
H7A0.56460.82460.51450.061*
H7B0.44670.76220.52290.061*
C80.5912(7)0.7009(7)0.5711(6)0.048(2)
C90.6573(8)0.5789(7)0.6327(6)0.052(2)
C100.6924(10)0.5133(8)0.6871(7)0.074(3)
H100.68480.52410.74170.088*
C110.7394(9)0.4309(8)0.6585(8)0.071(3)
H110.76290.38480.69420.085*
C120.7520(10)0.4158(8)0.5785(9)0.078(3)
H120.78550.36020.56190.094*
C130.7170(9)0.4800(7)0.5213(7)0.066(3)
H130.72470.46900.46670.079*
C140.6692(8)0.5623(7)0.5518(6)0.052(2)
C150.4836(8)0.9483(7)0.6221(6)0.050(2)
H15A0.48180.97250.56990.060*
H15B0.51691.01300.67330.060*
C160.3554(8)0.8945(7)0.6076(5)0.049(2)
C170.1921(8)0.7831(7)0.5960(6)0.051(2)
C180.1053(9)0.6956(9)0.5954(7)0.073(3)
H180.12500.63130.60420.088*
C19−0.0090(9)0.7063(11)0.5818(8)0.087(4)
H19−0.06790.64870.58180.104*
C20−0.0389(10)0.8001(12)0.5680(8)0.088(4)
H20−0.11810.80470.55840.105*
C210.0444(10)0.8873(11)0.5677(6)0.076(3)
H210.02340.95090.55820.091*
C220.1621(8)0.8770(9)0.5823(6)0.058(2)
C230.8167(8)0.8535(7)0.8471(6)0.050(2)
H23A0.89550.90310.88970.060*
H23B0.82540.82300.79220.060*
C240.7811(8)0.7625(7)0.8849(6)0.049(2)
C250.6839(10)0.6344(7)0.9187(7)0.060(3)
C260.5933(12)0.5558(9)0.9257(8)0.083(3)
H260.50990.54850.89670.100*
C270.6359(16)0.4915(12)0.9775(11)0.120(5)
H270.57960.43780.98420.144*
C280.7586(18)0.5019(13)1.0206(11)0.129(6)
H280.78200.45521.05560.155*
C290.8480(13)0.5773(11)1.0148(9)0.101(4)
H290.93110.58371.04470.121*
C300.8072(10)0.6436(8)0.9614(7)0.063(3)
C310.7242(8)0.9769(7)0.9138(5)0.047(2)
H31A0.78861.04560.93860.056*
H31B0.74160.93430.95660.056*
C320.6036(8)0.9996(7)0.8993(5)0.047(2)
C330.4076(8)0.9840(7)0.8525(5)0.046(2)
C340.2828(9)0.9501(8)0.8117(6)0.058(2)
H340.24170.88270.76850.070*
C350.2193(10)1.0204(10)0.8372(7)0.068(3)
H350.13380.99940.81100.082*
C360.2802(10)1.1202(9)0.9004(7)0.065(3)
H360.23511.16690.91360.078*
C370.4036(10)1.1525(8)0.9437(6)0.061(3)
H370.44381.21860.98860.073*
C380.4691(8)1.0830(7)0.9189(6)0.051(2)
C390.0339(12)0.6633(12)0.8160(9)0.120(5)
H39A0.06250.66600.76910.180*
H39B−0.03760.68990.80400.180*
H39C0.01340.58880.81850.180*
C400.1337(10)0.7341(8)0.9047(6)0.063(3)
C410.2713(19)0.2104(15)0.7107(11)0.156(7)
H41A0.18830.21490.69400.233*
H41B0.32270.26250.76790.233*
H41C0.27410.13760.71460.233*
C420.3174(12)0.2360(12)0.6399(8)0.085(4)
C430.0862(15)0.4072(15)0.6648(13)0.154(7)
H43A0.08360.38750.71720.232*
H43B0.05940.34200.61600.232*
H43C0.03290.45330.64890.232*
C440.652(2)0.2835(19)0.8205(13)0.217(11)
H44A0.72130.26260.85560.326*
H44B0.58990.27310.84420.326*
H44C0.67680.35940.82270.326*
N10.5656(6)0.8770(5)0.6377(4)0.0403(15)
N20.7238(6)0.9153(5)0.8281(4)0.0410(15)
N30.6086(7)0.6685(6)0.6434(5)0.058(2)
N40.6261(6)0.6406(6)0.5132(5)0.0543(19)
H40.62230.64920.46220.065*
N50.3168(7)0.7960(6)0.6127(5)0.0516(18)
N60.2671(7)0.9475(6)0.5883(5)0.0548(19)
H6A0.27491.01230.58120.066*
N70.6698(7)0.7119(6)0.8705(5)0.0511(17)
N80.8676(7)0.7266(6)0.9390(5)0.060(2)
H80.94580.75100.95640.072*
N90.4966(6)0.9321(5)0.8415(4)0.0469(17)
N100.5929(6)1.0917(5)0.9470(4)0.0465(17)
H10A0.65211.14550.98720.056*
O10.3451(7)0.6623(6)0.8067(6)0.097(3)
H1A0.31900.59610.78240.145*
H1B0.32570.67920.84910.145*
O20.1001(6)0.7763(6)0.9625(5)0.076(2)
O30.2405(6)0.7435(5)0.9145(4)0.0689(18)
O40.3303(8)0.1593(7)0.5906(6)0.094(3)
O50.3330(8)0.3312(6)0.6334(5)0.089(2)
O60.2079(11)0.4646(8)0.6832(9)0.137(4)
H6B0.25320.42500.69620.205*
O70.6026(19)0.2172(18)0.7294(12)0.245(8)
H70.53980.23150.70030.367*

Source of material

All reagents and solvents were used as obtained without further purification. The ligand CTB was synthesized according to the literature methods [7]. The title compound (I) was synthesized by reaction of CTB (0.64 g, 1 mmol) and Pb(CH3COO)2 ⋅ 3(H2O) (0.38 g, 1 mmol) in 95% methanol (30 mL) at 333 K for 2 h. The solution was then cooled to room temperature, filtered and evaporated to obtain the product (yield 72%). Crystals of (I) were grown from a methanol solution by slow evaporation at room temperature. Elemental analysis calculated: C 50.71, H 5.22, N 13.44%; found: C 50.53, H 5.52, N 13.39%.

Experimental details

Hydrogen atoms bonded to carbon atoms were placed in their geometrically idealized positions and constrained to ride on their parent atoms with C—H = 0.95 Å (aromatic), 0.99 Å (methylene), 0.98 Å (methyl) Uiso(H) = 1.2Ueq(aromatic and methylene) and 1.5Ueq(methyl). Hydrogen atoms bonded to nitrogen, O1 and O2 atoms were initially found from the difference maps and refined with the restraints of N—H = 0.88(1) Å, O—H = 0.82(1) Å. Due to the relatively high thermal factors of methanol solvent, commands DFIX and ISOR were used in the refinement to restrain C—O and their the thermal factors In the structure refinement, the crystal model was founded to be twinned by the twin law [0.019 0.921 −0.059, 1.019 −0.079 −0.059, −1.019–0.921 −0.941]. In the final result, the best ratio outcome for the major and minor components is 0.748(4):0.252(4).

Comment

As part of our continuing studies on the ligands or metal complexes containing multi-benzimidazole group [8], we have synthesized another ligand N,N,N′,N′-tetrakis[(1H-benzimidazol -2-yl) methyl]cyclohexane-1,2-diamine (CTB). On the other hand, due to the unique lone electron effects with ns2np0 configuration of the p-block Pb(II) ion, its metal complexes can provide some special opportunities for the screening of novel photoluminescent materials [9], [10]. Based on this concept, we have synthesized the title compound and reported its crystal structure in this paper.

In (I), its asymmetric unit was composed of each one [Pb(CTB)(H2O)]2+, two acetate anions and two methanol solvent molecules. The Pb(II) ion is coordinated in a distorted monocapped trigonal-prismatic environment by four benzimidazole (bzim) N atoms, two amino N atoms of the ligand CTB and one water molecule. These seven donor atoms occupy a space around the Pb(II) ion and the underneath direction space is occupied by the 6s2 lone elcetron pair, which may induce its special photoluminescence behavior [11]. Around the Pb(II) center, it should be mentioned that the Pb1-N3/N5/O1 bond distances (2.670(7) Å/2.720(7) Å/2.680(7) Å) are apparently longer than the other two Pb1-Nbzim distances (2.606(7) Å/2.530(6) Å) which should be ascribed to the lone electron pair steric hindrance. However, these two Pb1—Namino bond distances (2.746(7) Å and 2.772(6) Å) are apparently longer than the mean value (2.641(7) Å) of the five coordination bonds which should be mainly ascribed to the steric effect of ligand CTB. Similar phenomena are observed in some analogs [12], [13], [14].

In the crystal packing, the ions and molecules are linked into a three-dimensional network by a combination of extensive N-H⋯O and O-H⋯O hydrogen-bondings. In more details, the [Pb(CTB)(H2O)]2+ and O2/O3-containing acetate ions are firstly hydrogen-bonded by intermolecular N8—H8⋯O2 (dN8⋯O2 = 2.633(1) Å; 1 + x, y, z), N10—H10A⋯O3 (dN10⋯O3 = 2.669(2) Å; 1 + x, 2 − y, 2 − z) and O1—H1A⋯O3 (dO1⋯O3 = 2.695(1) Å) interactions into a one-dimensional chain along the [100] axis. These adjacent [100] chains are further linked into the final three-dimensional network by two N—H⋯O and three O—H⋯O hydrogen bonds between [Pb(CTB)(H2O)]2+cation, O4/O5-containing acetate and the two methanol molecules. Analysis by Platon [15] indicates that two weak intermolecular π⋯π interactions exist between two pairs of symmetry-related imidazole rings (N3/C8/N4/C14/C9 and N9/C32/N10/C38/C33) with centroid-centroid distances of 3.895(6) Å and 3.830(5) Å, respectively.

Acknowledgements

This work was financially supported by the special funding of Guiyang Science and Technology Bureau and Guiyang University (GYU-KYZ(2019)-02).

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Received: 2020-07-09
Accepted: 2020-08-02
Published Online: 2020-08-20
Published in Print: 2020-10-27

©2020 Ji Li et al., published by De Gruyter, Berlin/Boston

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

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  30. Crystal structure of bis[μ2-(N,N-diethylcarbamodithioato-κS:κS,κS′)]-bis(triethylphosphine-P)-di-silver(I), C22H50Ag2N2P2S4
  31. Crystal structure of bis[μ2-(pyrrolidine-1-carbodithioato-κS:κS,κS′)]-bis(triethylphosphine-κP)disilver(I), C22H46Ag2N2P2S4
  32. Crystal structure of bis[μ2-(N-(2-hydroxyethyl)-N-methylcarbamodithioato-κS:κS,κS′)]-bis(triethylphosphine-P)-di-silver(I), C20H46Ag2N2O2P2S4
  33. The crystal structure of (2E,2′E)-,2,2′-bis[1-(2-pyrazinyl)ethylidene]carbonimidic dihydrazide, C13H15N9
  34. The crystal structure of (E)-1-(quinolin-2-ylmethyl)-2-((1-(quinolin-2-ylmethyl)pyridin-2(1H)-ylidene)amino)pyridin-1-ium, C30H25BrN5
  35. Crystal structure of catena-poly[(μ2-1-((benzotriazol-1-yl)methyl)-1H-1,3-imdazole-κ2N:N′)-(1-((benzotriazol-1-yl)methyl)-1H-1,3-imdazole-κ1N)-(methanol-κ1O)mercury(II)] dinitrate, C21H22N12O7Hg
  36. Crystal structure of 1-(6-hydroxy-2-phenylbenzofuran-5-yl)ethan-1-one, C16H12O3
  37. The crystal structure of oxonium hexaquaaluminium disulfate hexahydrate
  38. Crystal structure of catena{(μ2-1,10-phenanthroline-κ4N,N,N′,N′)-(μ2-1,10-phenanthroline-κ3N,N,N′)potassium(I) {[bis(2-hydroxyethyl)iminiumyl](sulfanidyl)methyl}sulfanide hemi(1,10-phenanthroline)}, {C24H16KN4, 0.5(C12H8N2), C5H10NO2S2}
  39. Crystal structure of chlorido-[(N,N-di-isobutyl)dithiocarbamato-κ2S,S′]-di(4-methylbenzyl-κC)tin(IV), C25H36ClNS2Sn
  40. Crystal structure of chlorido-(η5-pentamethylcyclopentadienyl)-(4-chloro-4-pyridyl-2,2′:6′,2′′-terpyridine-κ2N,N′) rhodium(III) hexaflourophosphate, C31H29Cl2F6N3PRh
  41. The crystal structure of catena-poly[bis-(3,5-dinitro-1,2,4-triazolato-κ2N:O)-(μ2-1,4-bis(1-imidazolyl)benzene-κ2N:N′)copper(II)], C16H10CuN14O8
  42. Crystal structure of poly[triaqua-bis(μ3-3,3′-((5-carboxylato-1,3-phenylene)bis(oxy))dibenzoato)-tris(1,10-phenanthroline)cobalt(II)], C78H46N6O20Co3
  43. The crystal structure of 2,4-dihydroxybenzoic acid–nicotinamide–methanol (1/1/1), C15H18N2O6
  44. The crystal structure of aqua{N,N,N′,N′-tetrakis[(1H-benzimidazol-κN3) methyl]cyclohexane-1,2-diamine}lead(II) diacetate–methanol (1/2), C44H54N10O7Pb
  45. Crystal structure of (2-amino-5-bromo-3-iodophenyl)(3-(4-chlorophenyl)oxiran-2-yl)methanone, C15H10BrClINO2
  46. Synthesis and crystal structure of 3-octyl-5,5-diphenylimidazolidine-2,4-dione, C23H28N2O2
  47. Synthesis and crystal structure of 2-azido-N-(4-nitrophenyl)acetamide, C8H7N5O3
  48. Crystal structure of tert-butyl (1S,2R,5R)-2-(hydroxymethyl)-4-(4-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate, C17H23NO5
  49. Crystal structure of 4-[(4-methoxy-2-nitrophenyl)carbamoyl]butanoic acid, C12H14N2O6
  50. Crystal structure of 3-ethyl-1-[(E)-[(2E)-3-phenylprop-2-en-1-ylidene]amino]thiourea, C12H15N3S
  51. Crystal structure of 4,4′-bipyridin-1,1′-dium poly[bis(μ4-benzene-1,3,5-triyltris(hydrogen phosphonato-κ4O:O′:O′′:O′′′))zinc(II)], C11H11NO9P3Zn
  52. Crystal structure of (μ2-1,1′-bis(diphenylphosphino)butane-κ2P,P′)-bis[(Z)-N-(3-fluorophenyl)-O-methylthiocarbamato-κS]-di-gold(I), C44H42Au2F2N2O2P2S2
  53. Crystal structure of (μ2-1,1′-bis(diphenylphosphino)hexane-κ2P,P′)-bis[(Z)-N-(3-fluorophenyl)-O-methylthiocarbamato-κS]digold(I), C46H46Au2F2N2O2P2S2
  54. Crystal structure of tetrakis (N-(2-hydroxyethyl)-N-isopropylcarbamodithioato-κS,S′)-(μ2(2-(pyridin-4-yl)vinyl)pyridine-κN,N′)dicadmium(II), C36H58Cd2N6O4S8
  55. Crystal structure of 4-(2-(benzo[b]thiophen-2-yl)-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl)-1,5-dimethyl-1H-pyrrole-2-carbonitrile, C20H12F6N2S
  56. Crystal structure of bis(octahydrocyclopenta[c]pyrrolium)pentachlorobismuthate(III), (C7NH14)2BiCl5
  57. The crystal structure of diaqua-tris(nitrato-κ2O,O′)-bis(4,4,5,5-tetramethyl-2-(p-pyridyl)imidazoline-1-oxyl 3-oxide-κN)samarium(III), C24H36N9O15Sm
  58. Synthesis and crystal structure of methyl 2-(2-((tert-butoxycarbonyl)amino)phenyl)-2-(4-oxo-4H-chromen-3-yl)acetate, C23H23NO6
  59. Crystal structure of O-hexyl benzoylcarbamothioate, C14H19NO2S
  60. Crystal structure of chlorido-(O-methyl phenylcarbamothioamide-κS)-bis(triphenylphosphane-κP)silver(I), C44H39AgClNOP2S
  61. Crystal structure of chlorido-(O-ethyl phenylcarbamothioamide-κS)-bis(triphenylphosphane-κP)-silver(I), C45H41AgClNOP2S
  62. Crystal structure of 4-[(2-methoxyphenyl)carbamoyl]butanoic acid, C12H15NO4
  63. Crystal structure of ethyl 4-methyl-2-oxo-5-phenyl-1,3,4-oxadiazinane-3-carboxylate, C13H16N2O4
  64. Crystal structure of catena-poly[diaqua(μ2-2-(hydroxymethyl)-1H-imidazole-4,5-dicarboxylato)cadmium(II)], C6H8CdN2O7
  65. Crystal structure of (1S)-N-(chloromethyl)-1-((4S,6aR,8aS, 8bR,9aR)-4-methoxy-6a,8a-dimethyl-1,3,4, 5,6,6a,6b,7,8,8a,9a,10,10a,10b-tetradecahydro-8bH-naphtho[2′,1′:4,5] indeno[1,2-b]oxiren-8b-yl)-N-methylethan-1-amine, C24H46ClNO5
  66. Crystal structure of 4-[(3,5-dichlorophenyl)carbamoyl]butanoic acid, C11H11Cl2NO3
  67. Crystal structure of (2Z)-2-amino-3-[(E)-[(2,4-dihydroxyphenyl)methylidene]-amino]but-2-enedinitrile, C11H8N4O2
  68. Crystal structure of 3-methyl-1-[(E)-(4-phenylbutan-2-ylidene)amino]thiourea, C12H17N3S
  69. Crystal structure of carbonyl{hydridotris[3-phenyl-5-methylpyrazol-1-yl]borato-κ3N,N′N′′}copper(I), C31H28BCuN6O
  70. Crystal structure of ethane-1,2-diylbis(diphenylphosphine oxide) – dihydrogenperoxide (1/2), C26H28O6P2
  71. Crystal structure of 2-(pyridin-2-ylamino)pyridinium chloride dibenzyldichlorostannane, [C10H10N3]Cl, C14H14Cl2Sn
  72. Crystal structure of 4-[(3-methoxyphenyl)carbamoyl]butanoic acid, C12H15NO4
  73. Crystal structure of dichlorido-bis(tri-4-tolylphosphane oxide-κO)-di(4-chlorophenyl-κC)tin(IV), C54H50Cl4O2P2Sn
  74. Crystal structure of dichloridodimethylbis(tri-4-tolylphosphane oxide-κO)-tin(IV), C44H48Cl2O2P2Sn
  75. Crystal structure of chlorido(2-methylquinolin-8-olato-κ2N,O)-bis(4-tolyl-κC)tin(IV), C24H22ClNOSn
  76. Crystal structure of (E)-dichloro(1-chloro-3-methoxyprop-1-en-2-yl)(4-methoxyphenyl)-λ4-tellane, C11H13Cl3O2Te
  77. Crystal structure of bis{N-methyl-N′-[3-(4-methoxyphenyl)-1-methylpropane-1-ylidene]carbamohydrazonothioato}zinc(II), C26H36N6O2S2Zn
  78. Crystal structure of (2-carboxy-4-(3-carboxy-5-carboxylatophenoxy)benzoato-κ2O,O′)bis(1,10-phenantroline-κ2N,N′)cobalt(II), C40H24N4O9Co
  79. The crystal structure of (3S,8R,10R,14R)-17-((2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-4,4,8,10,14-pentamethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate, C32H52O5
  80. Crystal structure of (μ2-1,1′-bis(diphenylphosphino)ferrocene-κ2P,P′)-bis[(Z)N-(3-fluorophenyl)-O-methylthiocarbamato-S]digold(I) chloroform solvate, C50H42Au2F2FeN2O2P2S2, CHCl3
  81. Crystal structure of poly[bis(μ2-1,4-di(1H-imidazol-1-yl)benzene-κ2N:N′)-(μ2-tetraoxidomolybdato(VI)-κ2O:O′)cobalt(II)], C24H20N8O4MoCo
https://doi.org/10.1515/ncrs-2020-0343
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Articles in the same Issue

  1. Frontmatter
  2. Crystal structure of poly[tetraaqua-bis(μ4-5-(4-carboxy-benzylamino)-isophthalato-κ4O,O′:O′′:O′′′)-(μ2-4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl-κ2N:N′)dicadmium(II)], C25H22N3O8Cd
  3. The crystal structure of 2-(2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)phenoxy)acetate, C19H18N2O3
  4. Crystal structure of poly[aqua-μ2-4,4′-bipyridine-κ2N:N′)-μ2-bis(2-(2-((2,6-dichlorophenyl)amino)phenyl)acetato-κ2O,O′)zinc(II)], C38H28Cl4N4O4Zn
  5. Crystal structure of 1-(2-(1H-indol-3-yl)ethyl)-4-benzyl-3-hydroxy-3,6-diphenylpiperazine-2,5-dione, C33H29N3O3
  6. The crystal structure 2,2′-bipyridine-κ2N,N′-(2-(3-amino-4-chlorobenzoyl)benzoato-κ1O)-(2-(3-amino-4-chlorobenzoyl)benzoato-κ2O,O′)zinc(II) — ethanol (1/1), C40H32Cl2N4O7Zn
  7. Crystal structure of catena-poly[(μ3-2-carboxy-4-(3-carboxy-5-carboxylatophenoxy)benzoato-κ3O:O′:O′′)-bis(μ2-4,4′-bis(pyrid-4-yl)biphenyl-k1N)copper(II)], C60H40N4O9Cu
  8. The crystal structure of dimethylammonium catena-[di(μ-aqua)-bis(μ9-benzene-1,3,5-tricarboxylato)pentalithium], C20H16Li5NO13
  9. Crystal structure of tetraaqua-bis(3,5-di(pyridin-4-yl)-1,2,4-triazol-1-ido-κ1N)nickel(II) dihydrate, C24H28O6N10Ni
  10. The crystal structure of tetrakis(1-methylimidazole-κ1N)-oxido-(sulfato-κ1O)vanadium(IV), C16H24N8O5SV
  11. Crystal structure of methyl 2-(6,11-dioxo-2,3,6,11-tetrahydro-1H-benzo[f]pyrrolo[2,1-a]isoindole-5-carbonyl)benzoate, C24H17NO5
  12. Crystal structure of (E)-N′-(2-hydroxy-4-(2-(piperidin-1-yl)ethoxy)benzylidene) nicotinohydrazide monohydrate, C20H24N4O3 ⋅ H2O
  13. Crystal structure of poly[bis(μ3-(1-(3,5-di(1H-imidazol-1-yl)phenyl)-1H-imidazole-κ3N:N′:N′′)cobalt(II)] dinitrate — N,N-dimethylformamide (1/4), C42H52N18O10Co
  14. The crystal structure bis{hexakis(1-methyl-1H-imidazole-κ1N)cobalt(II)} tetrakis(μ3-oxido)-octakis(μ2-oxido)-tetradecaoxido-octamolybdate(VI), C24H36CoMo4N12O13
  15. Crystal structure of di-μ-nicotinato-κ2N:O; κ2O:N-bis-[aqua-bis(benzyl)(nicotinato-κ2O,O′)tin(IV)], C52H48N4O10Sn2
  16. Crystal structure of dichlorido-bis[2-(2-(3-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl)phenoxy)benzoic acidmanganese(II) monohydrate, C40H30N8O7MnCl2
  17. The crystal structure of benzyl 3β-acetylglycyrrhetate, C39H54O5
  18. Synthesis and crystal structure of (E)-1-benzyl-3-(4-methoxystyryl)quinoxalin-2(1H)-one, C24H20N2O2
  19. Crystal structure of trans-dichloridobis(4-chlorophenyl-κC1)(1,10-phenanthroline-κ2N,N′)tin(IV) dimethylsulphoxide solvate, C26H22Cl4N2OSSn
  20. Crystal structure of phenyl(1,3,4a-triphenyl-4a,5,6,10b-tetrahydro-1H-[1,4]oxazino[2,3-c]quinolin-5-yl)methanone, C36H28N2O2
  21. Crystal structure of (4aS,5S,6aS,6a1S, 10aS)-4a,5,6a,6a1,9,10-hexahydro-7H-4,5-methanocyclobuta[4,5]naphtho[8a,1-b]pyran-6(2H)-one, C15H16O2
  22. Crystal structure of [(Z)-O-isopropyl N-(4-chlorophenyl)thiocarbamato-κS]-(triphenylphosphine-κP)-gold(I), C28H26AuClNOPS
  23. Crystal structure of (μ2-1,1′-bis(diphenylphosphino)ferrocene-P,P′)-bis[(Z)-O-isopropyl N-(4-chlorophenyl)thiocarbamato-S]-di-gold(I) acetonitrile di-solvate, C54H50Au2Cl2FeN2O2P2S2⋅2(C2H3N)
  24. Crystal structure of (6aR,6a1S,10aS)-2,4a,6a,6a1,9,10-hexahydro-7H-4,5-methanocyclobuta[4,5]naphtho[8a,1-b]pyran, C15H16O
  25. Crystal structure of 5,17-diformyl-25,26,27,28-tetrahydroxycalix[4]arene- dichloromethane, C31H26Cl2O6
  26. Crystal structure of 2-tert-butyl 1-methyl 5-{4-[(methoxycarbonyl)amino]phenyl}-2,5-dihydro-1H-pyrrole-1,2-dicarboxylate, C19H24N2O6
  27. Crystal structure of [2-carboxybenzene-1-thiolato-S]-(triethylphosphane-P)-gold(I), C13H20AuO2PS
  28. Synthesis and crystal structure of bis(5-methyl-2-aldehyde-phenolato-κ2O1,O2)copper(II), C16H14CuO4
  29. Crystal structure of poly[triaqua-(di(2,2′-bipyridine-κ2N,N′)-μ4-silanetetrayltetrakis(benzene-4,1-diyl)tetrakis (hydrogen phosphonato)-κ4O:O′:O′′:O′′′) dicadmium(II)], C44H42N4O15P4Cd2Si
  30. Crystal structure of bis[μ2-(N,N-diethylcarbamodithioato-κS:κS,κS′)]-bis(triethylphosphine-P)-di-silver(I), C22H50Ag2N2P2S4
  31. Crystal structure of bis[μ2-(pyrrolidine-1-carbodithioato-κS:κS,κS′)]-bis(triethylphosphine-κP)disilver(I), C22H46Ag2N2P2S4
  32. Crystal structure of bis[μ2-(N-(2-hydroxyethyl)-N-methylcarbamodithioato-κS:κS,κS′)]-bis(triethylphosphine-P)-di-silver(I), C20H46Ag2N2O2P2S4
  33. The crystal structure of (2E,2′E)-,2,2′-bis[1-(2-pyrazinyl)ethylidene]carbonimidic dihydrazide, C13H15N9
  34. The crystal structure of (E)-1-(quinolin-2-ylmethyl)-2-((1-(quinolin-2-ylmethyl)pyridin-2(1H)-ylidene)amino)pyridin-1-ium, C30H25BrN5
  35. Crystal structure of catena-poly[(μ2-1-((benzotriazol-1-yl)methyl)-1H-1,3-imdazole-κ2N:N′)-(1-((benzotriazol-1-yl)methyl)-1H-1,3-imdazole-κ1N)-(methanol-κ1O)mercury(II)] dinitrate, C21H22N12O7Hg
  36. Crystal structure of 1-(6-hydroxy-2-phenylbenzofuran-5-yl)ethan-1-one, C16H12O3
  37. The crystal structure of oxonium hexaquaaluminium disulfate hexahydrate
  38. Crystal structure of catena{(μ2-1,10-phenanthroline-κ4N,N,N′,N′)-(μ2-1,10-phenanthroline-κ3N,N,N′)potassium(I) {[bis(2-hydroxyethyl)iminiumyl](sulfanidyl)methyl}sulfanide hemi(1,10-phenanthroline)}, {C24H16KN4, 0.5(C12H8N2), C5H10NO2S2}
  39. Crystal structure of chlorido-[(N,N-di-isobutyl)dithiocarbamato-κ2S,S′]-di(4-methylbenzyl-κC)tin(IV), C25H36ClNS2Sn
  40. Crystal structure of chlorido-(η5-pentamethylcyclopentadienyl)-(4-chloro-4-pyridyl-2,2′:6′,2′′-terpyridine-κ2N,N′) rhodium(III) hexaflourophosphate, C31H29Cl2F6N3PRh
  41. The crystal structure of catena-poly[bis-(3,5-dinitro-1,2,4-triazolato-κ2N:O)-(μ2-1,4-bis(1-imidazolyl)benzene-κ2N:N′)copper(II)], C16H10CuN14O8
  42. Crystal structure of poly[triaqua-bis(μ3-3,3′-((5-carboxylato-1,3-phenylene)bis(oxy))dibenzoato)-tris(1,10-phenanthroline)cobalt(II)], C78H46N6O20Co3
  43. The crystal structure of 2,4-dihydroxybenzoic acid–nicotinamide–methanol (1/1/1), C15H18N2O6
  44. The crystal structure of aqua{N,N,N′,N′-tetrakis[(1H-benzimidazol-κN3) methyl]cyclohexane-1,2-diamine}lead(II) diacetate–methanol (1/2), C44H54N10O7Pb
  45. Crystal structure of (2-amino-5-bromo-3-iodophenyl)(3-(4-chlorophenyl)oxiran-2-yl)methanone, C15H10BrClINO2
  46. Synthesis and crystal structure of 3-octyl-5,5-diphenylimidazolidine-2,4-dione, C23H28N2O2
  47. Synthesis and crystal structure of 2-azido-N-(4-nitrophenyl)acetamide, C8H7N5O3
  48. Crystal structure of tert-butyl (1S,2R,5R)-2-(hydroxymethyl)-4-(4-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate, C17H23NO5
  49. Crystal structure of 4-[(4-methoxy-2-nitrophenyl)carbamoyl]butanoic acid, C12H14N2O6
  50. Crystal structure of 3-ethyl-1-[(E)-[(2E)-3-phenylprop-2-en-1-ylidene]amino]thiourea, C12H15N3S
  51. Crystal structure of 4,4′-bipyridin-1,1′-dium poly[bis(μ4-benzene-1,3,5-triyltris(hydrogen phosphonato-κ4O:O′:O′′:O′′′))zinc(II)], C11H11NO9P3Zn
  52. Crystal structure of (μ2-1,1′-bis(diphenylphosphino)butane-κ2P,P′)-bis[(Z)-N-(3-fluorophenyl)-O-methylthiocarbamato-κS]-di-gold(I), C44H42Au2F2N2O2P2S2
  53. Crystal structure of (μ2-1,1′-bis(diphenylphosphino)hexane-κ2P,P′)-bis[(Z)-N-(3-fluorophenyl)-O-methylthiocarbamato-κS]digold(I), C46H46Au2F2N2O2P2S2
  54. Crystal structure of tetrakis (N-(2-hydroxyethyl)-N-isopropylcarbamodithioato-κS,S′)-(μ2(2-(pyridin-4-yl)vinyl)pyridine-κN,N′)dicadmium(II), C36H58Cd2N6O4S8
  55. Crystal structure of 4-(2-(benzo[b]thiophen-2-yl)-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl)-1,5-dimethyl-1H-pyrrole-2-carbonitrile, C20H12F6N2S
  56. Crystal structure of bis(octahydrocyclopenta[c]pyrrolium)pentachlorobismuthate(III), (C7NH14)2BiCl5
  57. The crystal structure of diaqua-tris(nitrato-κ2O,O′)-bis(4,4,5,5-tetramethyl-2-(p-pyridyl)imidazoline-1-oxyl 3-oxide-κN)samarium(III), C24H36N9O15Sm
  58. Synthesis and crystal structure of methyl 2-(2-((tert-butoxycarbonyl)amino)phenyl)-2-(4-oxo-4H-chromen-3-yl)acetate, C23H23NO6
  59. Crystal structure of O-hexyl benzoylcarbamothioate, C14H19NO2S
  60. Crystal structure of chlorido-(O-methyl phenylcarbamothioamide-κS)-bis(triphenylphosphane-κP)silver(I), C44H39AgClNOP2S
  61. Crystal structure of chlorido-(O-ethyl phenylcarbamothioamide-κS)-bis(triphenylphosphane-κP)-silver(I), C45H41AgClNOP2S
  62. Crystal structure of 4-[(2-methoxyphenyl)carbamoyl]butanoic acid, C12H15NO4
  63. Crystal structure of ethyl 4-methyl-2-oxo-5-phenyl-1,3,4-oxadiazinane-3-carboxylate, C13H16N2O4
  64. Crystal structure of catena-poly[diaqua(μ2-2-(hydroxymethyl)-1H-imidazole-4,5-dicarboxylato)cadmium(II)], C6H8CdN2O7
  65. Crystal structure of (1S)-N-(chloromethyl)-1-((4S,6aR,8aS, 8bR,9aR)-4-methoxy-6a,8a-dimethyl-1,3,4, 5,6,6a,6b,7,8,8a,9a,10,10a,10b-tetradecahydro-8bH-naphtho[2′,1′:4,5] indeno[1,2-b]oxiren-8b-yl)-N-methylethan-1-amine, C24H46ClNO5
  66. Crystal structure of 4-[(3,5-dichlorophenyl)carbamoyl]butanoic acid, C11H11Cl2NO3
  67. Crystal structure of (2Z)-2-amino-3-[(E)-[(2,4-dihydroxyphenyl)methylidene]-amino]but-2-enedinitrile, C11H8N4O2
  68. Crystal structure of 3-methyl-1-[(E)-(4-phenylbutan-2-ylidene)amino]thiourea, C12H17N3S
  69. Crystal structure of carbonyl{hydridotris[3-phenyl-5-methylpyrazol-1-yl]borato-κ3N,N′N′′}copper(I), C31H28BCuN6O
  70. Crystal structure of ethane-1,2-diylbis(diphenylphosphine oxide) – dihydrogenperoxide (1/2), C26H28O6P2
  71. Crystal structure of 2-(pyridin-2-ylamino)pyridinium chloride dibenzyldichlorostannane, [C10H10N3]Cl, C14H14Cl2Sn
  72. Crystal structure of 4-[(3-methoxyphenyl)carbamoyl]butanoic acid, C12H15NO4
  73. Crystal structure of dichlorido-bis(tri-4-tolylphosphane oxide-κO)-di(4-chlorophenyl-κC)tin(IV), C54H50Cl4O2P2Sn
  74. Crystal structure of dichloridodimethylbis(tri-4-tolylphosphane oxide-κO)-tin(IV), C44H48Cl2O2P2Sn
  75. Crystal structure of chlorido(2-methylquinolin-8-olato-κ2N,O)-bis(4-tolyl-κC)tin(IV), C24H22ClNOSn
  76. Crystal structure of (E)-dichloro(1-chloro-3-methoxyprop-1-en-2-yl)(4-methoxyphenyl)-λ4-tellane, C11H13Cl3O2Te
  77. Crystal structure of bis{N-methyl-N′-[3-(4-methoxyphenyl)-1-methylpropane-1-ylidene]carbamohydrazonothioato}zinc(II), C26H36N6O2S2Zn
  78. Crystal structure of (2-carboxy-4-(3-carboxy-5-carboxylatophenoxy)benzoato-κ2O,O′)bis(1,10-phenantroline-κ2N,N′)cobalt(II), C40H24N4O9Co
  79. The crystal structure of (3S,8R,10R,14R)-17-((2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-4,4,8,10,14-pentamethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate, C32H52O5
  80. Crystal structure of (μ2-1,1′-bis(diphenylphosphino)ferrocene-κ2P,P′)-bis[(Z)N-(3-fluorophenyl)-O-methylthiocarbamato-S]digold(I) chloroform solvate, C50H42Au2F2FeN2O2P2S2, CHCl3
  81. Crystal structure of poly[bis(μ2-1,4-di(1H-imidazol-1-yl)benzene-κ2N:N′)-(μ2-tetraoxidomolybdato(VI)-κ2O:O′)cobalt(II)], C24H20N8O4MoCo
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