Home Physical Sciences Crystal structure of (E)-3′,6′-bis(ethylamino)-2′,7′-dimethyl-2-(2-((quinolin-2-ylmethylene)amino)ethyl)spiro[isoindoline-1,9′-xanthen]-3-one, C38H37N5O2
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Crystal structure of (E)-3′,6′-bis(ethylamino)-2′,7′-dimethyl-2-(2-((quinolin-2-ylmethylene)amino)ethyl)spiro[isoindoline-1,9′-xanthen]-3-one, C38H37N5O2

  • Yi-Xin Chu ORCID logo EMAIL logo , Kai-Hao Li , Han-Huan Yang and Juan Yuan
Published/Copyright: June 10, 2020
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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 235 Issue 5

Abstract

C38H37N5O2, monoclinic, P21/n (no. 14), a = 13.3575(2) Å, b = 16.6645(3) Å, c = 13.7678(2) Å, β = 96.4890(14)°, Z = 4, V = 3045.03(8) Å3, Rgt(F) = 0.0386, wRref(F2) = 0.1028, T = 116.2(4) K.

CCDC no.: 2007137

The asymmetric unit of 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:Yellow cube
Size:0.30 × 0.20 × 0.10 mm
Wavelength:Cu Kα radiation (1.54184 Å)
μ:0.65 mm−1
Diffractometer, scan mode:SuperNova, ω
θmax, completeness:71.6°, >99%
N(hkl)measured, N(hkl)unique, Rint:11880, 5759, 0.023
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 5054
N(param)refined:414
Programs:CrysAlisPRO [1], Olex2 [2], SHELX [3], [4]
Table 2:

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

AtomxyzUiso*/Ueq
O10.59614(7)0.11687(6)0.53780(7)0.0331(2)
O20.41186(7)0.45797(5)0.58019(6)0.0264(2)
N10.47335(9)0.20742(7)0.13535(8)0.0288(3)
N20.61712(9)0.26583(7)0.35445(8)0.0282(2)
N30.52523(7)0.24299(6)0.54671(7)0.0199(2)
N40.57996(9)0.48079(7)0.90132(7)0.0262(2)
H40.60900.45780.95300.031*
N50.23128(9)0.46204(6)0.26281(7)0.0261(2)
H50.20980.43630.21040.031*
C10.47825(11)0.16150(8)0.05360(9)0.0287(3)
C20.40078(12)0.16887(9)−0.02498(11)0.0366(3)
H20.34510.2011−0.01820.044*
C30.40725(14)0.12901(10)−0.11058(11)0.0431(4)
H30.35590.1344−0.16180.052*
C40.49045(14)0.08003(10)−0.12227(11)0.0429(4)
H4A0.49510.0546−0.18180.051*
C50.56448(12)0.06950(9)−0.04686(11)0.0383(4)
H5A0.61830.0356−0.05470.046*
C60.56065(11)0.10949(8)0.04333(10)0.0304(3)
C70.63411(11)0.10017(9)0.12475(11)0.0334(3)
H70.6878(13)0.0623(11)0.1201(12)0.039(4)*
C80.62715(11)0.14457(9)0.20696(10)0.0309(3)
H80.67410.13850.26170.037*
C90.54701(10)0.20002(8)0.20729(9)0.0268(3)
C100.54393(10)0.25788(8)0.28808(9)0.0271(3)
H100.48670.28940.29030.032*
C110.60798(10)0.32734(8)0.42799(9)0.0270(3)
H11A0.54430.35520.41360.032*
H11B0.66180.36620.42660.032*
C120.61351(9)0.28921(8)0.52919(9)0.0239(3)
H12A0.67200.25430.53800.029*
H12B0.62340.33130.57790.029*
C130.52623(9)0.16105(8)0.55297(9)0.0230(3)
C140.42819(9)0.13739(7)0.58508(8)0.0223(3)
C150.38985(10)0.06102(8)0.59813(9)0.0282(3)
H150.42550.01530.58410.034*
C160.29671(11)0.05547(8)0.63279(10)0.0309(3)
H160.26930.00530.64280.037*
C170.24373(10)0.12434(9)0.65275(10)0.0302(3)
H170.18160.11940.67660.036*
C180.28196(10)0.20052(8)0.63763(9)0.0257(3)
H180.24590.24640.65030.031*
C190.37501(9)0.20605(7)0.60335(8)0.0200(2)
C200.43277(9)0.28105(7)0.57964(8)0.0192(2)
C210.46151(9)0.33441(7)0.66727(8)0.0194(2)
C220.50652(9)0.30226(7)0.75580(8)0.0198(2)
H220.51020.24670.76200.024*
C230.54560(9)0.34837(7)0.83398(8)0.0202(2)
C240.53838(9)0.43341(7)0.82541(8)0.0205(2)
C250.49035(9)0.46671(7)0.73975(9)0.0225(3)
H250.48240.52200.73450.027*
C260.45421(9)0.41735(7)0.66202(8)0.0212(2)
C270.37174(9)0.41307(7)0.50106(8)0.0210(2)
C280.32571(9)0.45790(8)0.42324(9)0.0230(3)
H280.32450.51360.42740.028*
C290.28136(9)0.41976(7)0.33887(8)0.0208(2)
C300.28619(9)0.33459(7)0.33325(8)0.0207(2)
C310.33254(9)0.29329(7)0.41238(8)0.0204(2)
H310.33480.23760.40860.024*
C320.37660(9)0.33006(7)0.49832(8)0.0195(2)
C330.59719(10)0.31104(8)0.92559(9)0.0244(3)
H33A0.56040.32360.97960.037*
H33B0.66450.33170.93810.037*
H33C0.59970.25390.91760.037*
C340.57705(9)0.56747(8)0.89810(9)0.0235(3)
H34A0.50800.58570.89750.028*
H34B0.60210.58610.83860.028*
C350.64094(10)0.60239(8)0.98604(10)0.0285(3)
H35A0.71000.58710.98420.043*
H35B0.61770.58231.04490.043*
H35C0.63560.65980.98470.043*
C360.24188(10)0.29165(8)0.24233(9)0.0251(3)
H36A0.27980.30470.18930.038*
H36B0.17310.30800.22620.038*
H36C0.24440.23480.25350.038*
C370.21261(10)0.54752(8)0.26584(9)0.0246(3)
H37A0.27550.57640.26490.030*
H37B0.18480.56100.32590.030*
C380.13987(12)0.57220(9)0.17922(11)0.0361(3)
H38A0.16910.56150.12000.054*
H38B0.12570.62850.18330.054*
H38C0.07840.54230.17920.054*

Source of material

All reagents and starting materials were commercially available and used as received. The title compound was synthesized from rhodmine 6G by a simple two-step Schiff base condensation reaction according to the literature [5], [6]. In first step, the intermediate rhodmine 6G amide was prepared by Schiff base condensation reaction between rhodmine 6G and ethylenediamine. The title compound was got by mixing an equimolar 2-quinolinecarbaldehyde and rhodmine 6G amide obtained in the first step.

Rhodmine 6G (5 mmol, 2.395 g) was dissolved in ethanol (60 mL). An excess of ethylenediamine (3.0 mL) was then added dropwise under vigorous stirring at room temperature. After addition, the stirred mixture was heated to reflux for 6 h, during which the white precipitate appeared. The resulting precipitate was filtered and washed several times with ethanol-water (1:1, v/v) to obtain a white powder of the intermediate rhodamine 6G amide. Yield: ca. 80%.

The intermediate rhodmine 6G amide was condensed with equimolar 2-quinolinecarbaldehyde in boiling ethanol and refluxed for 6 h, during which a yellow powder appeared. The yellow powder was filtered off, washed with ethanol-water (1:1, v/v) to obtain the crude product of the title compound, which was purified by recrystallization. Yield: ca. 85%. Single crystals of the title compound were grown from a CH2Cl2/CH3OH (1:1, v/v) solution by slow evaporation at room temperature. About one week later, light yellow cube crystals were obtained. Yield: ca. 60%.

Experimental details

The H atoms were added geometrically using riding models and refined isotropically. Their Uiso values were set to 1.2Ueq of the parent C and N atoms, and 1.5Ueq of the parent O atoms.

Comment

It is well known that quinoline skeleton and its derivatives are important units existing widely in alkaloids. Quinoline derivatives have attracted much attention due to their potential functions in molecular probes, protein binding activities and anticancer activities etc. [7], [8], [9], [10].

The title compound is probably the potential fluorescent probe, anticancer active substance or valuable ligand for transition metals. The asymmetric unit contains a neutral molecule in a ring-closed form. The amide C=O bond distance is 1.2255(16) Å, indicative of the keto form of the amide. The dihedral angle between the least-square plane of the benzamide and quinoline is 81.68°, which indicates that it is difficult for title compound to form chelate complexes in this ring-closed structure. The bond length of C10—N2 is 1.2675(17) Å, which shows the existence of the Schiff base C=N moiety. The hydrogen bond between adjacent molecules is very weak. Bond lengths are all in the expected ranges [11]. There are also no obvious pi-pi contacts.

References

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7. Nolan, E. M.; Jaworski, J.; Okamoto, K.-I.; Hayashi, Y.; Sheng, M.; Lippard, S. J.: QZ1 and QZ2: rapid, reversible quinoline-derivatized fluoresceins for sensing biological Zn(II). J. Am. Chem. Soc. 127 (2005) 16812–16823.10.1021/ja052184tSearch in Google Scholar PubMed PubMed Central

8. Lu, J.; Li, J.-L.; Sun, Q.; Jiang, L.; Gu, W.; Liu, X.; Tian, J.-L.; Yan, S.-P.: Synthesis, characterization, and biological activities of two Cu(II) and Zn(II) complexes with one polyquinoline ligand. Spectrochim. Acta, Part A 130 (2014) 390–396.10.1016/j.saa.2014.04.018Search in Google Scholar PubMed

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Received: 2020-05-16
Accepted: 2020-06-02
Published Online: 2020-06-10
Published in Print: 2020-08-26

©2020 Yi-Xin Chu 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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  59. Crystal structure of ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate, C7H7F3N2O2
  60. Crystal structure of tetrakis(1H-benzo[d]imidazol-3-ium) bis(μ5-phenylphosphonato)-pentakis(μ2-oxido)-decaoxo-penta-molybdenum dihydrate, C40H42Mo5N8O23P2
  61. Structure of 7-(3,3,4,4,5,5-hexafluoro-2-(2-methylbenzo[b]thiophen-3-yl)cyclopent-1-en-1-yl)-8-methylquinoline, C24H15F6NS
  62. Crystal structure of monocarbonyl[2-((cyclopentylmethylene)amino)-5-methylphenolato-κ2N,O] (tricyclohexylphosphine)rhodium(I), C32H48NO2PRh
  63. The crystal structure of fac-tricarbonyl(1,10-phenanthroline-κ2N,N′)-(pyrazole-κN)rhenium(I)nitrate, C18H12O3N4Re
  64. Crystal structure of poly[diaqua-bis(μ2-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato-κ2N:O)nickel(II)], C28H22O6N8Ni
  65. Crystal structure of 4,4′-bis(pyridin-1-ium-4-yl)biphenyl poly[bis(μ2-4,4′-bis(pyrid-4-yl)biphenyl-K2N:N′)-tetrakis(μ4-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-K4O,O′:O′′:O′′′)-bis[[μ2-1,1′-biphenyl]-3-carboxyl-5-carboxylato-K2O:O′]tetracobalt(II)]— [1,1′-biphenyl]-3,5-dicarboxylic acid (1/2), C93H68N3O16Co2
  66. The crystal structure of 4a-formyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-1-2-6a,6b,9,9,12a-heptamethylpicen-10-yl acetate, C32H50O3
  67. Crystal structure of 3,3′-(1,2-phenylenebis(methylene))bis(1-methyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C16H20F12N4P2
  68. Crystal structure of catena-poly[diaqua-(μ2-tartrato-κ4O,O′:O′′,O′′′)zinc(II)], C4H8O8Zn
  69. The crystal structure of (6aR,6bS,8aS,8bR,9S,11aS,12aS,12bS)-10-(4-acetoxy-3-methylbutyl)-6a,8a,9-trimethyl-3,4,5,6,6a,6b,7,8,8a,8b,9,10,11a,12,12a,12b-hexadecahydro-1H-naphtho[2′,1′:4,5]indeno[2,1-b]furan-4-yl acetate, C31H48O5
  70. Crystal structure of 4,4′-(oxybis(methylene))bis(bromobenzene), C14H12Br2O
  71. Crystal structure of (N,N-dimethylsulphoxide)-[N-(3-ethoxy-2-(oxide)benzylidene)-3-methoxybenzenecarbohydrazonato-κ3N,O,O′]-dioxo-molybdenum(VI), C19H22MoN2O7S
  72. Crystal structure of dichlorido-bis(dimethyl sulphoxide-κO)-bis(4-methylbenzyl-κC1)tin(IV), C20H30Cl2O2S2Sn
  73. Crystal structure of (E)-2-amino-N′-(2-hydroxy-4-(2-(piperidin-1-yl)ethoxy)benzylidene)benzohydrazide monohydrate, C21H26N4O3 ⋅ H2O
  74. Crystal structure of chloridotris(4-chlorophenyl)(dimethyl sulfoxide-κO)tin(IV), C20H18Cl4OSSn
  75. Crystal structure of catena{di-aqua-sodium-[N-(hydroxyethyl), N-isopropyl-dithiocarbamato]}n, [C6H16NNaO2S2]n
  76. Crystal structure of 2,2,4,4,6,6-hexakis(4-chlorophenyl)-1,3,5,2,4,6-trithiatristanninane, C36H24Cl6S3Sn3
  77. Crystal structure of 6-methoxy-3-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-4H-chromen-4-one-methanol (1/1), C20H18N2O6
  78. Crystal structure of hexanedihydrazide, C6H14N4O2
  79. Crystal structure of tert-butyl 2-(hydroxymethyl)-5-{4-[(methoxycarbonyl)amino]phenyl}-2,5-dihydro-1H-pyrrole-1-carboxylate, C18H24N2O5
  80. Crystal structure of [(Z)-O-isopropyl N-(4-nitrophenyl)thiocarbamato-κS]-(triphenylphosphine-κP)-gold(I), C28H26AuN2O3PS
  81. Crystal structure of [O-ethyl N-(4-nitrophenyl)thiocarbamato-κS](tri-4-tolylphosphine-κP)gold(I) tetrahydrofuran solvate, C30H30AuN2O3PS, C4H8O
https://doi.org/10.1515/ncrs-2020-0233
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Articles in the same Issue

  1. Frontmatter
  2. Crystal structure of isopimara-7,15-dien-3-one, C20H30O
  3. Crystal structure of bis(6-aminopyridine-2-carboxylato-κ2O,N)-copper(II), C12H10O6N4Cu
  4. Crystal structure of 5,6-diphenyldibenzo[c, g]chrysene, C38H24
  5. Poly[bis(dimethylformamide-κO)-(μ8-5,5′′-dicarboxy-[1,1′:4′,1′′-terphenyl]-2′,3,3′′,5′-tetracarboxylato-κ8O:O1:O2:O3:O4:O5:O6:O7)dizinc(II)] — dimethylformamide (1/2), C18H19N2O8Zn
  6. The crystal structure of poly[bis(N,N-dimethylformamide-κ1O)(μ4- 2′,5,5′,5′′-tetracarboxy-[1,1′:4′,1′′-terphenyl]-3,3′′-dicarboxylato-κ4O:O′:O′′:O′′′)manganese(II)] — N,N-dimethylformamide (1/2), C36H40N4O16Mn
  7. Crystal structure of N,N-dimethyl-4-((7-nitrobenzo[c][1,2,5]thiadiazol-4-yl)ethynyl)aniline, C16H12N4O2S
  8. The crystal structure of 8a-methoxy 8a-methoxy-1,5,8a,9a-tetrahydro-4H-8,9-dioxa-3a1λ4-aza-8aλ4, C18H14BNO3
  9. Crystal structure of poly[diaqua-(μ2-5-isopropoxyisophthalato-κ2O:O′)-(μ2-(1,3-bis(3,5-di(1H-imidazol-1-yl)pyridine))-κ2N:N′)cobalt(II)] monohydrate, C22H25N5O8Co
  10. The crystal structure of acetoximium 1′-hydroxy-1H,1H′-5,5′-bitetrazole-1-olate monohydrate, C5H11N9O4
  11. Crystal structure of 3-(2-ethoxy-2-oxoethyl)-1-vinyl-1H-imidazol-3-ium hexafluoridophosphate(V), C9H13F6N2O2P
  12. The crystal structure of catena-poly[(μ2-4-(benzo[d]imidazol-2-yl)benzenecarboxylato-κ2N,O)-(μ2-4-(benzo[d]imidazol-2-yl)benzenecarboxylato-κ3N,O:O′)cadmium(II)]dihydrate, C28H22CdN4O6
  13. Enzyme-mediated synthesis and crystal structure of (2R,4S)-hydroxyketamine, C13H16ClNO2
  14. The crystal structure of bis(isothiocyanato-κ1N)-(methanol-κ1O)-[2-morpholine-4-yl-4,6-di(pyrazol-1-yl)-1,3,5-triazine-κ3N,N′,N′′] manganese(II), C16H18MnN10O2S2
  15. Crystal structure of bis{5-chloro-2-(((4-trifluoromethyl)imino)methyl)phenolato-κ2N,O}copper(II), C28H16Cl2CuF6N2O2
  16. Crystal structure of bis(1,3-phenylenedimethanaminium) bis(triiodide) tetraiodide – water (1/2) , C8H16I5N2O
  17. Crystal structure and anti-inflammatory activity of (3E,5E)-3,5-bis(2-fluorobenzylidene)-1-((4-fluorophenyl)sulfonyl)piperidin-4-one, C25H18F3NO3S
  18. The crystal structure of bis{3-(diphenylphosphaneyl)propanoato-κ2O,P}platinum(II) dihydrate, C30H28O6P2Pt
  19. The crystal structure of (E)-2-(4-((4-fluorobenzyl)oxy)styryl)-4,6-dimethoxybenzaldehyde, C24H21FO4
  20. Crystal structure of bis[3-methoxy-N-(1-(pyrazin-2-yl)ethylidene)benzohydrazonato-κ3O,N,N′]nickel(II), C28H26N8O4Ni
  21. Crystal structure of 1-(2-(pyridin-2-yl)-5-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl)ethan-1-one, C14H12N4O2
  22. Synthesis and crystal structure of 3-N-acetyl-5-(pyridin-3-yl)-2-(quinolin-2-yl)-1,3,4-oxadiazoline, C18H14N4O2
  23. Crystal structure of 2-methyl-1H-perimidine, C12H10N2
  24. Crystal structure of (E)-2-(5,5-dimethyl-3-(4-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)oxy)styryl)cyclohex-2-en-1-ylidene)malononitrile, C25H19N5O4
  25. Structural elucidation of 1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4,5-dihydroxy-2-methylanthracene-9,10-dione isolated from Bulbine latifolia (L.) Wild, C24H18O8
  26. Crystal structure of 3-cinnamoyl-4-hydroxybenzoic acid, C16H12O4
  27. The crystal structure of poly[bis(μ4-2,3-pyridinedicarboxylato)-(μ2-oxalyl dihydrazide)-dicadmium(II) dihydrate], C16H16O12N6Cd2
  28. Synthesis and crystal structure of 1-{4-[(3-bromo-2-hydroxy-benzylidene)amino]phenyl}ethanone, C15H12BrNO2
  29. Synthesis and crystal structure of 1-{4-[(2-bromo-6-hydroxy-benzylidene)amino]phenyl}ethanone, C15H12BrNO2
  30. Crystal structure of (4-aminobenzoato-κ2O,O′)-[5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′]nickel(II) perchlorate monohydrate, C23H44ClN5NiO7
  31. Crystal structure of 1-{4-[(4-fluoro-2-hydroxy-benzylidene)amino]phenyl}ethanone, C15H12FNO2
  32. Preparation and crystal structure of a non-symmetrical vanadium(II) dimer: tri-μ2-bromido-(hydrogen-tris(3-isopropyl-4-bromopyrazol-1-yl)borato-κ3N,N′,N′′)-tris(tetrahydrofuran-κO)divanadium(II) – tetrahydrofuran (1/1), C34H57BBr6N6O4V2
  33. Crystal structure of bis{2-(((4-(1-(hydroxyl-imino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O}cobalt(II), C30H26CoN4O4
  34. Crystal structure of 3-((3-nitrophenyl)sulfonamido)propanoic acid — 4,4′-bipyridine (1/1), C19H18N4O6S
  35. Crystal structure of cyclo[diaqua-bis(μ2-3′,5-dicarboxy-[1,1′-biphenyl]-3,4′-dicarboxylato-κ4O,O′:O′′,O′′′)-bis(4,4′-bis(pyrid-4-yl)biphenyl-K1N)dicadmium(II)], C76H52Cd2N4O18
  36. Crystal structure of 1-(adamantan-1-yl)-3-aminothiourea, C11H19N3S
  37. Crystal structure of catena-poly[triaqua-(μ2-1,4-di(pyridin-4-yl)benzene-κ2N:N′)-(3′,5-dicarboxy-[1,1′-biphenyl]-3,4′-dicarboxylato-κO)nickel(II)], C32H26N2O11Ni
  38. Crystal structure of catena-poly[aqua-(μ4-4,4′-(pyridine-3,5-diyl)dibenzoato-κ4O,O′:O′′:O′′′)zinc(II)], C19H13NO5Zn
  39. Crystal structure of 4-(4′-(pyridin-4-yl)-[1,1′-biphenyl]-4-yl)pyridin-1-ium 2-carboxy-4-(3,5-dicarboxyphenoxy)benzoate hydrate, C38H28N2O10
  40. Crystal structure of 3-[(triisopropylsilanyl)-ethynyl]-6a,12a-dihydro-1H-1,4-diaza-benzo[α]anthracene-2,7,12-trione, C27H28N2O3Si
  41. Crystal structure of [(bis(1,10-phenanthroline-κ2N,N′)-(2-carboxy-4-(3-carboxy-5-carboxylatophenoxy)benzoato-κ2O:O′))nickel(II) monohydrate, (1,10-phenanthroline-κ2N:N′)-(μ2-(5-(3′,4′-dicarboxylphenoxy)-isophthalate-κ2O:O′))nickel(II)], C40H24N4O9Ni ⋅ H2O
  42. Crystal structure of 4-(3-(pyridin-3-yl)ureido)benzoic acid — adipic acid (2/1), C16H16N3O5
  43. Crystal structure of poly[bis{μ2-5-carboxy-4′-methyl-[1,1′-biphenyl]-3-carboxylato-κ2O:O′}-{μ2-4,4′-bipyridine-κ2N:N′}]cobalt(II), C40H30N2O8Co
  44. Crystal structure of aqua-(2,2′-bipyridine-κ2N,N′)(((3-nitrophenyl)sulfonyl)glycine-κ2N,O)copper(II) dihydrate, C18H20CuN4O9S
  45. Crystal structure of bis{2-bromo-6-(((4-(1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O}copper(II), C32H28Br2CuN4O4
  46. Crystal structure of bis(2-(2-((2,6-dichlorophenyl)amino)phenyl)acetato-κ2O,O′)-(1,10-phenanthroline-κ2N,N′)zinc(II), C40H28Cl4N4O4Zn
  47. Crystal structure of 2-(3,6-dimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)-2-oxoethyl acetate, C14H17NO4
  48. Crystal structure of poly[dibromido-bis(μ2-1,6-di(1H-imidazol-1-yl)hexane-κ2N:N′)cadmium(II)], C24H36Br2N8Cd
  49. Synthesis and crystal structure of ((6R,7S)-3-ethyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl)(phenyl)methanone hemihydrate, 2(C19H18N4OS) ⋅ H2O
  50. Crystal structure of 2-(5-(pyridin-3-yl)-4-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)pyridine, C17H12N6
  51. The crystal structure of N-((1E,2E)-1,3-bis(4-fluorophenyl)but-2-en-1-ylidene)-4-methylbenzenesulfonamide, C23H19F2NO2S
  52. Crystal structure of diacetato-κ1O-diethanol-κ1O-bis(μ2-2-(((2-hydroxyethyl)imino)methyl)-5-methoxyphenolato-κ4O,N,O′:O′′)dinickel(II), C28H42Ni2N2O12
  53. The crystal structure of catena-poly[chlorido-(μ2-1,4-bis(pyridin-3-yl-methoxy)benzene-κ2N:N′)copper(II)], C18H16ClN2O2Cu
  54. N′,N′′′-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(methaneylylidene))bis(2-hydroxybenzohydrazide)nickel(II), C30H24N4NiO6
  55. Crystal structure of (E)-3′,6′-bis(ethylamino)-2′,7′-dimethyl-2-(2-((quinolin-2-ylmethylene)amino)ethyl)spiro[isoindoline-1,9′-xanthen]-3-one, C38H37N5O2
  56. Crystal structure of 4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl-1-ium 5,3′,5′-tricarboxy-[1,10-biphenyl]-2-carboxylate, C25H17N2O8
  57. The crystal structure of 1-carboxy-2-(1H-indol-3-yl)-N,N,N-trimethylethan-1-ammonium chloride, C14H19N2O2Cl
  58. The crystal structure of 5-bromo-2-fluoronicotinic acid monohydrate, C6H5BrFNO3
  59. Crystal structure of ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate, C7H7F3N2O2
  60. Crystal structure of tetrakis(1H-benzo[d]imidazol-3-ium) bis(μ5-phenylphosphonato)-pentakis(μ2-oxido)-decaoxo-penta-molybdenum dihydrate, C40H42Mo5N8O23P2
  61. Structure of 7-(3,3,4,4,5,5-hexafluoro-2-(2-methylbenzo[b]thiophen-3-yl)cyclopent-1-en-1-yl)-8-methylquinoline, C24H15F6NS
  62. Crystal structure of monocarbonyl[2-((cyclopentylmethylene)amino)-5-methylphenolato-κ2N,O] (tricyclohexylphosphine)rhodium(I), C32H48NO2PRh
  63. The crystal structure of fac-tricarbonyl(1,10-phenanthroline-κ2N,N′)-(pyrazole-κN)rhenium(I)nitrate, C18H12O3N4Re
  64. Crystal structure of poly[diaqua-bis(μ2-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato-κ2N:O)nickel(II)], C28H22O6N8Ni
  65. Crystal structure of 4,4′-bis(pyridin-1-ium-4-yl)biphenyl poly[bis(μ2-4,4′-bis(pyrid-4-yl)biphenyl-K2N:N′)-tetrakis(μ4-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-K4O,O′:O′′:O′′′)-bis[[μ2-1,1′-biphenyl]-3-carboxyl-5-carboxylato-K2O:O′]tetracobalt(II)]— [1,1′-biphenyl]-3,5-dicarboxylic acid (1/2), C93H68N3O16Co2
  66. The crystal structure of 4a-formyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-1-2-6a,6b,9,9,12a-heptamethylpicen-10-yl acetate, C32H50O3
  67. Crystal structure of 3,3′-(1,2-phenylenebis(methylene))bis(1-methyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C16H20F12N4P2
  68. Crystal structure of catena-poly[diaqua-(μ2-tartrato-κ4O,O′:O′′,O′′′)zinc(II)], C4H8O8Zn
  69. The crystal structure of (6aR,6bS,8aS,8bR,9S,11aS,12aS,12bS)-10-(4-acetoxy-3-methylbutyl)-6a,8a,9-trimethyl-3,4,5,6,6a,6b,7,8,8a,8b,9,10,11a,12,12a,12b-hexadecahydro-1H-naphtho[2′,1′:4,5]indeno[2,1-b]furan-4-yl acetate, C31H48O5
  70. Crystal structure of 4,4′-(oxybis(methylene))bis(bromobenzene), C14H12Br2O
  71. Crystal structure of (N,N-dimethylsulphoxide)-[N-(3-ethoxy-2-(oxide)benzylidene)-3-methoxybenzenecarbohydrazonato-κ3N,O,O′]-dioxo-molybdenum(VI), C19H22MoN2O7S
  72. Crystal structure of dichlorido-bis(dimethyl sulphoxide-κO)-bis(4-methylbenzyl-κC1)tin(IV), C20H30Cl2O2S2Sn
  73. Crystal structure of (E)-2-amino-N′-(2-hydroxy-4-(2-(piperidin-1-yl)ethoxy)benzylidene)benzohydrazide monohydrate, C21H26N4O3 ⋅ H2O
  74. Crystal structure of chloridotris(4-chlorophenyl)(dimethyl sulfoxide-κO)tin(IV), C20H18Cl4OSSn
  75. Crystal structure of catena{di-aqua-sodium-[N-(hydroxyethyl), N-isopropyl-dithiocarbamato]}n, [C6H16NNaO2S2]n
  76. Crystal structure of 2,2,4,4,6,6-hexakis(4-chlorophenyl)-1,3,5,2,4,6-trithiatristanninane, C36H24Cl6S3Sn3
  77. Crystal structure of 6-methoxy-3-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-4H-chromen-4-one-methanol (1/1), C20H18N2O6
  78. Crystal structure of hexanedihydrazide, C6H14N4O2
  79. Crystal structure of tert-butyl 2-(hydroxymethyl)-5-{4-[(methoxycarbonyl)amino]phenyl}-2,5-dihydro-1H-pyrrole-1-carboxylate, C18H24N2O5
  80. Crystal structure of [(Z)-O-isopropyl N-(4-nitrophenyl)thiocarbamato-κS]-(triphenylphosphine-κP)-gold(I), C28H26AuN2O3PS
  81. Crystal structure of [O-ethyl N-(4-nitrophenyl)thiocarbamato-κS](tri-4-tolylphosphine-κP)gold(I) tetrahydrofuran solvate, C30H30AuN2O3PS, C4H8O
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