Home Physical Sciences The crystal structure of 2-(4-methoxyphenyl)-6,8-diphenyl-4-(phenylamino)quinazoline — acetonitrile (1/1), C35H28N4O
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The crystal structure of 2-(4-methoxyphenyl)-6,8-diphenyl-4-(phenylamino)quinazoline — acetonitrile (1/1), C35H28N4O

  • Marole M. Maluleka and Malose J. Mphahlele EMAIL logo
Published/Copyright: September 13, 2016
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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 231 Issue 4

Abstract

C35H28N4O, triclinic, P1̅ (no. 2), a = 10.5972(11) Å, b = 11.0497(12) Å, c = 12.0241(12) Å, α = 89.499(4)°, β = 77.169(4)°, γ = 79.758(4)°, V = 1350.2(2) Å3, Z = 2, Rgt(F) = 0.0717, wRref(F2) = 0.1542, T = 173 K.

CCDC no.:: 1419750

Table 1

Data collection and handling.

Crystal:Yellow needle

Size 0.36 × 0.10 × 0.08 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:0.8 cm−1
Diffractometer, scan mode:Bruker D8 Venture, ω (0.5°)
2θmax, completeness:51°, >97%
N(hkl)measured, N(hkl)unique, Rint:18764, 4920, 0.040
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 4122
N(param)refined:367
Programs:SHELX [2], Bruker programs [3], WinGX [4], Platon [5]
Table 2

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

AtomxyzUiso*/Ueq
C10.2559(2)0.5795(2)0.41878(19)0.0200(5)
C20.3109(2)0.6347(2)0.3162(2)0.0211(5)
C30.4333(2)0.5798(2)0.2540(2)0.0239(5)
H3A0.47090.61810.18680.029*
C40.5051(2)0.4698(2)0.2851(2)0.0227(5)
C50.4509(2)0.4170(2)0.3844(2)0.0232(5)
H50.49760.34290.40710.028*
C60.3285(2)0.4701(2)0.4525(2)0.0204(5)
C70.2649(2)0.4201(2)0.5569(2)0.0201(5)
C80.0879(2)0.5768(2)0.5738(2)0.0209(5)
C9−0.0450(2)0.6344(2)0.6400(2)0.0228(5)
C10−0.1210(2)0.7309(2)0.5946(2)0.0251(6)
H10−0.08730.75840.52070.03*
C11−0.2437(3)0.7866(2)0.6549(2)0.0285(6)
H11−0.29370.85180.62250.034*
C12−0.2940(2)0.7474(2)0.7630(2)0.0276(6)
C13−0.2212(3)0.6521(3)0.8094(2)0.0303(6)
H13−0.25540.62510.88340.036*
C14−0.0974(3)0.5953(2)0.7478(2)0.0266(6)
H14−0.04840.52920.780.032*
C150.2921(2)0.2555(2)0.6982(2)0.0260(6)
C160.3383(3)0.1292(3)0.6972(3)0.0368(7)
H160.38750.08740.62820.044*
C170.3129(3)0.0647(3)0.7958(3)0.0503(9)
H170.3439−0.02150.79460.06*
C180.2429(3)0.1250(4)0.8955(3)0.0540(10)
H180.22550.08060.96350.065*
C190.1976(3)0.2507(4)0.8971(3)0.0487(9)
H190.14930.29190.96680.058*
C200.2214(3)0.3179(3)0.7985(2)0.0339(7)
H200.19010.4040.79990.041*
C210.6313(2)0.4085(2)0.2102(2)0.0255(6)
C220.7232(3)0.3281(3)0.2551(3)0.0342(7)
H220.7080.31730.33520.041*
C230.8365(3)0.2638(3)0.1843(3)0.0491(8)
H230.8980.20890.21590.059*
C240.8600(3)0.2795(3)0.0676(3)0.0519(9)
H240.93560.23290.01860.062*
C250.7729(3)0.3635(3)0.0229(3)0.0474(8)
H250.79070.3772−0.05670.057*
C260.6599(3)0.4276(3)0.0933(2)0.0355(7)
H260.6010.48530.06150.043*
C270.2408(2)0.7480(2)0.27376(19)0.0208(5)
C280.3101(3)0.8401(2)0.2293(2)0.0260(6)
H280.40080.83150.22970.031*
C290.2481(3)0.9438(3)0.1845(2)0.0354(7)
H290.29651.00590.15440.043*
C300.1166(3)0.9577(3)0.1834(2)0.0397(7)
H300.07441.02910.15260.048*
C310.0464(3)0.8675(3)0.2270(2)0.0337(7)
H31−0.04420.87690.22610.04*
C320.1074(2)0.7634(2)0.2720(2)0.0258(6)
H320.05820.70180.30210.031*
C33−0.4688(3)0.7846(3)0.9295(2)0.0446(8)
H33A−0.4740.6970.93520.067*
H33B−0.5570.8340.95510.067*
H33C−0.41140.80490.97760.067*
N10.13625(19)0.63455(18)0.48237(16)0.0208(4)
N20.1464(2)0.47145(18)0.61433(16)0.0223(5)
N30.3293(2)0.3161(2)0.59496(18)0.0260(5)
O1−0.41672(18)0.81029(19)0.81495(17)0.0391(5)
H30.406(3)0.275(3)0.555(2)0.032(8)*
C1S0.7064(3)0.1106(2)0.4862(2)0.0327(6)
C2S0.8446(3)0.0641(3)0.4805(3)0.0376(7)
H2S10.89250.13290.47330.056*
H2S20.88050.00750.41420.056*
H2S30.85430.02030.55020.056*
N1S0.5979(3)0.1485(2)0.4909(2)0.0453(7)

Source of material

A mixture of the previously prepared 2-(4-methoxyphenyl)-6,8-diphenylquinazolin-4(3H)-one[1] (0.40 g, 1.06 mmol) and POCl3 (15 mL) was heated at 120 °C for 3 h. The mixture was allowed to cool to room temperature and then quenched with a mixture of ice and ammonia. The resulting precipitate was filtered and washed with water followed by ice-cold ethanol. The product was dried in an oven to afford 4-chloro-2-(4-methoxyphenyl)-6,8-diphenylquinazoline. The 4-chloro-2-(4-methoxyphenyl)-6,8-diphenylquinazoline (0.40 g, 0.9 mmol) was in turn reacted with aniline (15 mL) under reflux at 120 °C for 4 h to afford the title compound (0.4 g, 95%), mp. 176–178 °C; νmax (ATR) 754, 804, 831, 1034, 1156, 1213, 1247, 1471, 1504, 1562, 1597, 3436 cm−1; 1H NMR (500 MHz, DMSO-d6) 3.81 (s, 3H), 7.03 (d, J 8.7Hz, 2H), 7.20 (t, J 7.5 Hz, 1H), 7.45–7.56 (m, 8H), 7.80 (d, J 8.7 Hz, 2H), 7.96–7.99 (m, 4H), 8.17 (d, J 1.8 Hz, 1H), 8.28 (d, J 7.5 Hz, 2H), 8.96 (d, J 1.8 Hz, 1H), 10.02 (s, 1H); 13C NMR (125 MHz, DMSO-d6) 55.7, 114.3, 115.0, 120.5, 122.9, 124.2, 127.7, 127.8, 128.2, 128.4, 129.0(2xC), 129.5, 130.0, 131.4, 131.5, 132.6, 137.3, 139.2, 139.6, 139.8, 139.9, 147.9, 158.8, 161.6; m/z 480 (MH+). HRMS (ESI): found: 480.2071. C33H26N3O requires 480.1998. Crystals were obtained by recrystalization from acetonitrile.

Experimental details

The crystal structure was solved using direct methods [3]. Hydrogen atoms were positioned geometrically and allowed to ride on their respective parent atoms with d(C—H) = 0.95 Å and Uiso(H) = 1.2Ueq(C).

Discussion

4-Amino–substituted quinazolines constitute an important class of compounds with a wide-ranging applications in the field of medicine and materials [6]. Continued interest in the synthesis of quinazoline derivatives substituted with a primary amino group at the 4-position stems from their importance as selective inhibitors of the epidermal growth factor receptor (EGFR) tyrosine kinase phosphorylation resulting from competitive binding at the ATP site [7]. In pharmaceutical industry, it is not only important to obtain the active ingredients in pure form, but also to have the knowledge of all possible forms of a drug in the solid state, because different forms can influence the physicochemical properties [8]. In this structure, the solvate (acetonitrile) is hydrogen bonded to the N—H group N(3)⋯N(1S) 3.113(3) Å; < N(3)H(3)N(1S) 167° (cf. the figure). In the crystal, the compound adopts the anti-orientation (anti-5) of the 4-phenylamino group with respect to the quinazoline 5-position to minimize steric interaction with Cquinaz-N and N—Ph torsion angles N(2)—C(7)—N(3)—C(15) = −6.2° and C(20)—C(15)—N(3)—C(7) = −31.9°, respectively. Moreover, the anti-arrangement of the N-phenyl ring enables hydrogen bonding. The 8-aryl ring, on the other hand, is strongly deformed out of plane of the quinazoline moiety (average torsion angle ca. −43°) to avoid steric interaction between its ortho hydrogen atoms and quinazoline H-7. The slight twist of the 6-aryl ring from co-planarity minimizes steric interaction with hydrogen atoms on C3 (H-7) and C5 (H-5). The same is true for the 2-aryl moiety.

Acknowledgements:

The authors are grateful to the University of South Africa and the National Research Foundation for financial assistance.

References

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Received: 2016-5-25
Accepted: 2016-8-24
Published Online: 2016-9-13
Published in Print: 2016-12-1

©2016 Marole M. Maluleka et al., published by De Gruyter.

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

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  1. Cover and Frontmatter
  2. Crystal structure of the catena-poly-[bis(μ2-1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl-κN)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)nickel(II)] 5.5 hydrate, C32H44N6NiO11F2
  3. Crystal structure of catena-poly-[(μ2-2-(2-((2,6-dimethylphenyl)amino)phenyl)acetato-κ2O:O′)(μ2-2-(2-((2,6-dimethylphenyl)amino)phenyl)acetate-κ3O,O′:O′)cadmium(II)], C28H20N2Cl4O4Cd
  4. Crystal structure of catena-poly[dichlorido-(μ2-4-(pyridin-4-yl)-isophthalate-κ2O, O′)cadmium(II)] monohydrate, C13H11NO5Cl2Cd
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  63. Crystal structure of 2-amino-7-methyl-4-(3,4-difluoro-phenyl)-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C16H10F2N2O3
  64. The crystal structure of 4-[(benzo[1,3]dioxol-5-ylmethylene)-amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one, C19H17N3O3
  65. Crystal structure of 1,4-dihydro-1-phenylchromeno[4,3-c]pyrazole, C16H12N2O
  66. Crystal structure of N-(5-((3,5-dimethylisoxazol-4-yl)sulfonyl)quinolin-8-yl)benzamide, C21H17N3O4S
  67. Crystal structure of 3-amino-9-methoxy-1-phenyl-1H-benzo[f]chromene-2-carbonitrile, C21H16N2O2
  68. Crystal structure of 1,2-bis(4-methoxyphenyl)-2-((3-(trifluoromethyl)phenyl)amino)ethan-1-one, C23H20F3NO3
  69. Crystal structure of 2-amino-4-(2,4-dinitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile – ethanol (1:1), C21H16N4O8
  70. Crystal structure of catena-poly-[(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate-κ2O,O′)-(μ2-4,4′-sulfonyldibenzoato-κ4O,O′:O′′,O′′′)zinc(II)] hemihydrate, C31H27ZnFN3O9.5S
  71. Crystal structure of 2-(2-bromophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid, C12H13BrO4
  72. Crystal structure of 2-(2-bromophenyl)-5-ethyl-1,3-dioxane-5-carboxylic acid, C13H15BrO4
  73. Crystal structure of 4-(4-((3-bromophenyl)amino)-6-(tert-butyl)-3-(2-hydroxypropan-2-yl)cinnolin-8-yl)-2-methylbut-3-yn-2-ol, C26H30BrN3O2
  74. Crystal structure poly-(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazolyl-κ2NN1:N2N)-(μ3-2,2′-(1,2-phenylene)diacetato-κ5-O1,O2:O2:O3,O4)cadmium(II), C22H19CdN5O4
  75. Crystal structure of bis(1-ethyl-6-fluoro-4-oxido-7-(piperazin-1-ium-1-yl)-1,8-naphthyridin-1-ium-3-carboxylate-κ2O,O′)copper(II) benzene-1, 4-dicarboxylate dihydrate, C38H42F2CuN8O12
  76. Redetermination of the crystal structure of potassium lithium molybdate monohydrate, KLiMoO4·H2O
  77. Crystal structure of [tris(2-benzimidazolylmethyl)amine-κ3N](isonicotinate-κO) cobalt(II) [tris(2-benzimidazolylmethyl)amine-κ3N](isonicotinic acid-κO) cobalt(II) triperchlorate, C60H51N16O16Cl3Co2
  78. The crystal structure of tris(μ2-1,3-bis(4,4,4-trifluoro-3-oxido-1-(oxo)but-2-en-1-yl)phenyl-κ4O,O′:O′′,O′′′)-bis(1,2-dimethoxyethane-κ2O,O′)dicerium(III), C50H38F18O16Ce2
  79. Crystal structure of 8-isopropyl-8-aza-bicyclo[3.2.1]octan-3-ol, C10H19NO
  80. Crystal structure of 2,4-dibenzoyl-N,N-dimethylbenzenamine, C22H19NO2
  81. The crystal structure of 2-(4-methoxyphenyl)-6,8-diphenyl-4-(phenylamino)quinazoline — acetonitrile (1/1), C35H28N4O
https://doi.org/10.1515/ncrs-2016-0166
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Articles in the same Issue

  1. Cover and Frontmatter
  2. Crystal structure of the catena-poly-[bis(μ2-1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl-κN)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)nickel(II)] 5.5 hydrate, C32H44N6NiO11F2
  3. Crystal structure of catena-poly-[(μ2-2-(2-((2,6-dimethylphenyl)amino)phenyl)acetato-κ2O:O′)(μ2-2-(2-((2,6-dimethylphenyl)amino)phenyl)acetate-κ3O,O′:O′)cadmium(II)], C28H20N2Cl4O4Cd
  4. Crystal structure of catena-poly[dichlorido-(μ2-4-(pyridin-4-yl)-isophthalate-κ2O, O′)cadmium(II)] monohydrate, C13H11NO5Cl2Cd
  5. Crystal structure of poly-{[μ2-(E)-1,4-di(1H-imidazol-1-yl)but-2-ene-κ2N:N′][μ2-cyclohexane-1,4-dicarboxylato-κ4O,O′:O′′,O′′′]nickel(II)}, C18H22N4NiO4
  6. Crystal structure of aqua (5,5′-dicarboxy-(1,1′-biphenyl)-2,3′-dicarboxylato-κO) bis(1,10-phenanthroline-κ2N,N′)cadmium monohydrate, C40H28CdN4O10
  7. Crystal structure of 5-methoxy-N′-[(3Z)-5-chloro-1-(4-fluorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1H-indole-2-carbohydrazide-DMSO (1/1), C25H18ClFN4O3 · C2H6OS
  8. Crystal structure of 5-methoxy-N′-[(3Z)-1-benzyl-5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1H-indole-2-carbohydrazide-DMSO (1/1), C27H25FN4O4S
  9. Crystal structure of poly-[bis{μ2-N-(4-(1H-imidazol-1-yl)phenyl)-4-(1H-imidazol-1-yl)-N-phenylaniline-κ2N:N′)}-(μ2-naphthalene-2,6-dicarboxylato)-(μ4-naphthalene-2,6-dicarboxylato)dicadmium(II)], C36H25N5O4Cd
  10. Crystal structure of 1-(adamantan-1-yl)-3-(4-bromophenyl)thiourea, C17H21BrN2S
  11. Crystal structure of N′-[(1E)-(2,6-dichlorophenyl)-methylidene]adamantane-1-carbohydrazide, C18H20Cl2N2O
  12. Crystal structure of dichlorido{bis(2-hydroxyethyl)-5′-([2,2′:6′,2′′-terpyridin]-4′-yl)-[1,1′:3′,1′′-terphenyl]-4,4′′-dicarboxylate-κ3N,N′,N′′}zinc(II), C39H31Cl2N3O6Zn
  13. Crystal structure of 4,4′-(1,3,5,7-tetraoxo-3a,4,4a,5,7,7a,8,8a-octahydro-4,8-ethenopyrrolo [3,4-f]isoindole-2,6(1H,3H)-diyl)dibenzoic acid, C26H18N2O8
  14. Crystal structure of (E)-1-(4-(((E)-3,5-dichloro-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-ethyl oxime, C17H16Cl2N2O2
  15. The crystal structure of diaqua-(N-(2-hydroxy-5-nitrobenzyl)iminodiacetato-κ4-N,O,O′,O′′)chromium(III) based on synchrotron data, C11H13CrN2O9
  16. Crystal structure of ethyl 5-amino-3-(methylthio)-1-(1-phenyl-5-(thiophen-2-yl)-1H-pyrazole-3-carbonyl)-1H-pyrazole-4-carboxylate, C21H19N5O3S2
  17. Crystal structure of (E)-1-(4-(((E)-3,5-dibromo-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C17H16Br2N2O2
  18. Crystal structure of dibromido μ-oxalato-κ2O,O′:κ2O′′,O′′′−η6-p-cymenediosmium(II), C22H28Br2O4Os2
  19. Crystal structure of 2-(bromomethyl)-4-(4-chlorophenyl)-1-tosylpyrrolidine, C18H19BrClNO2S2
  20. Crystal structure of 5-(3-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione; C13H11FN2O3
  21. Crystal structure of diethylammonium 1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-ide, C10H19N3O3
  22. Crystal structure of 1,1-dimethyl-3-(2-phenylethyl)urea, C11H16N2O
  23. Crystal structure of 2-(4-methoxyphenyl)-1,3-thiazolo[4,5-b]pyridine, C13H10N2OS
  24. Crystal structure of 3-tert-butyl-7-azadioxindole, C11H14N2O2
  25. Crystal structure of 1-ferrocenyl-6-bromopyrene, C26H17BrFe
  26. Crystal structure of 3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide, C16H13BrFN3S
  27. Crystal structure of 2-amino-4-(3,5-ditrifluoromethylphenyl)-3-cyano-7,7-dimethyl-5-oxo-4H-5,6,7,8-tetrahydrobenzo[b]pyran, C20H16F6N2O2
  28. The crystal structure of 2-amino-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13N3O4
  29. Crystal structure of 2-amino-4-(2, 4-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12Cl2N2O2
  30. Crystal structure of bis(μ2-chlorido)-bis(di-p-tolylhydroxyphosphine-κP)-bis(di-p-tolylphosphite-κP)dipalladium(II), C56H58Cl2O4P4Pd2
  31. Crystal structure of diaqua-bis(2-methyl-1H-imidazole-4,5-dicarboxylato-κ2-O,N)cadmium(II) tetrahydrate, C12H22CdN4O14
  32. Crystal structure of aqua-(5-nitrosalicylato-κ2O,O′)-(1,10-phenanthroline-κ2N,N′)copper(II), C19H13CuN3O6
  33. Crystal structure of bis(4-(2-phenylpropan-2-yl)phenyl)amine, C30H31N
  34. Crystal structure of 2-amino-4-(3,5-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C18H16F2N2O2
  35. Crystal structure of 2-amino-4-(3,4,5-trifluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H11F3N2O2
  36. Crystal structure of an isomeric bis[(η5:η1-6,6-di-p-tolylpentafulvene)(η5-pentamethylcyclopentadienyl)titanium(III)]-μ2,η1:η1-dinitrogen complex, C60H66N2Ti2
  37. Crystal structure of 3,4-dinitropyrazole, C3H2N4O4
  38. Crystal structure of (4-vinylpyridine-κN)triphenyl tin(IV) chloride, C25H22ClNSn
  39. Crystal structure of tert-butyl 2-phenylethylcarbamate, C13H19NO2
  40. Crystal structure of (Z)-4-((E)-(4-chlorobenzyli-dene)hydrazono)-1-p-tolylpyrrolidine-3-carbonitrile, C19H17ClN4
  41. Crystal structure of bis(biphenyl-2,2′-dicarboxylato-κ2O:O′)-bis(1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)dizinc(II)2.5 hydrate, C62H57N6Zn2O16.5F2
  42. Crystal structure of dichloridobis{μ2-2,2′-((1E,1′E)-(ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(4-chlorophenolato)-κ5O,N,N′,O′:O′}diiron(III), C32H24Cl6Fe2N4O4
  43. Crystal structure of 4-((4,4-dimethyl-2, 6-dioxocyclohexylidine)methylamino)-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide, C20H23N3O5S
  44. Crystal structure of poly-[aqua-μ2-aqua-μ2-(4,4′-oxybis(benzoato)-κ4O,O′:O′′,O′′′)cadmium(II)], C14H12O7Cd
  45. Crystal structure of aqua(μ2-biphenyl-2,2′-dicarboxylato-κ3O,O′:O′′)-(μ2-1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)cadmium(II) 1.5 hydrate, C62H60N6Cd2O19F2
  46. Crystal structure of dimethanolo-bis[μ-(2-(2-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)phenoxy)benzoato)-κ5O,O′,N:N′,N′′]dicopper(II) — methanol (1/2), C46H48Cu2N8O12
  47. Crystal structure of poly-[tetraaqua-bis(μ4-2,5-dibenzoyl-1,4-benzenedicarboxylato-κ4O1:O2:O3:O4)-μ2-2,5-dibenzoyl-1,4-benzenedicarboxylato-k4O5,O6: O5′,O6′-didysprosium(III)] tetrahydrate C33H26O13Dy
  48. Crystal structure of hexaaqua-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl) propionato-κ3O,O′:O′)-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl)propionato-κO)-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl)propionato-κ2O,O′)dineodymium(III) octahydrate, C60H76N18O32Nd2
  49. Crystal structure of poly-[triaqua-(μ3-3,4,5,6-tetrafluoro-1,2-phthalato-κ4O:O′:O′′,O′′′) (2,3,4,5-tetrafluoro-benzoato-κ2O,O′) praseodymium(III)], C15H7F8O9Pr
  50. The crystal structure of dichlorido (1,3-dimesityl-1H-3λ4-imidazol-2-yl)(isoquinoline-κN)palladium(IV) – ethylacetate (1/1), C34H39Cl2N3O2Pd
  51. Crystal structure of dichlorido(1,3-bis(2,6-dimethyl-phenyl)-1H-3λ4-imidazol-2-yl)(isoquinolinyl)palladium(IV), C28H27Cl2N3Pd
  52. Crystal structure of 5-(4-(1H-tetrazol-5-yl)phenyl)-1H-imidazol-3-ium 7-carboxy-1,3-dioxo-1H,3H-benzo[de]isochromene-6-carboxylate monohydrate 4,5-anhydride, C24H16N6O8
  53. Crystal structure of poly-[diaqua-bis(μ2-2-((1H-1,2,4-triazol-5-yl)thio)acetato-κ2N:O) cadmium(II)], C8H8CdN6O6S2
  54. Crystal Structure of (E)-3-(4-methoxyphenyl)-1-(2,3,4-tris(benzyloxy)-6-hydroxyphenyl)prop-2-en-1-one, C37H32O6
  55. Structure and photochromism of 1-(1,2-dimethylindol-3-yl)-2-[2-methyl-5-(3-fluorophenyl)-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, C26H18F7NS
  56. Crystal structure of two-dimensional coordination polymer poly-[μ2-azido-aqua-(μ2-pyrazine-2-carboxylato-κ3O,N:N′)nickel(II)], C5H5N5O3Ni
  57. Crystal structure of 2-amino-5-oxo-4-(3,5-bis(trifluoromethyl)phenyl)-4H,5H-pyrano [3,2-c]chromene-3-carbonitrile, C21H10F6N2O3
  58. Crystal structure of 4-(5-((2-methylbenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine, C21H18N4S
  59. Crystal structure of 5-(2-chloro-5-nitrophenyl)-3-(4-chlorophenyl)-N-ethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, C18H16Cl2N4O2S
  60. Crystal structure of 4-(benzofuran-2-yl)-2-(3-(4-fluorophenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl)thiazole, C28H20FN3OS
  61. Crystal structure of bis(dicyanamido-κ1N)-tetrakis[1-benzyl-1H-1,2,4-triazole-κ1N]cobalt(II), CoC40H36N18
  62. Crystal structure of 1-benzyl-6-hydroxy-1,4,5,6-tetrahydropyridine-3-carbonitrile, C13H14N2O
  63. Crystal structure of 2-amino-7-methyl-4-(3,4-difluoro-phenyl)-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C16H10F2N2O3
  64. The crystal structure of 4-[(benzo[1,3]dioxol-5-ylmethylene)-amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one, C19H17N3O3
  65. Crystal structure of 1,4-dihydro-1-phenylchromeno[4,3-c]pyrazole, C16H12N2O
  66. Crystal structure of N-(5-((3,5-dimethylisoxazol-4-yl)sulfonyl)quinolin-8-yl)benzamide, C21H17N3O4S
  67. Crystal structure of 3-amino-9-methoxy-1-phenyl-1H-benzo[f]chromene-2-carbonitrile, C21H16N2O2
  68. Crystal structure of 1,2-bis(4-methoxyphenyl)-2-((3-(trifluoromethyl)phenyl)amino)ethan-1-one, C23H20F3NO3
  69. Crystal structure of 2-amino-4-(2,4-dinitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile – ethanol (1:1), C21H16N4O8
  70. Crystal structure of catena-poly-[(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate-κ2O,O′)-(μ2-4,4′-sulfonyldibenzoato-κ4O,O′:O′′,O′′′)zinc(II)] hemihydrate, C31H27ZnFN3O9.5S
  71. Crystal structure of 2-(2-bromophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid, C12H13BrO4
  72. Crystal structure of 2-(2-bromophenyl)-5-ethyl-1,3-dioxane-5-carboxylic acid, C13H15BrO4
  73. Crystal structure of 4-(4-((3-bromophenyl)amino)-6-(tert-butyl)-3-(2-hydroxypropan-2-yl)cinnolin-8-yl)-2-methylbut-3-yn-2-ol, C26H30BrN3O2
  74. Crystal structure poly-(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazolyl-κ2NN1:N2N)-(μ3-2,2′-(1,2-phenylene)diacetato-κ5-O1,O2:O2:O3,O4)cadmium(II), C22H19CdN5O4
  75. Crystal structure of bis(1-ethyl-6-fluoro-4-oxido-7-(piperazin-1-ium-1-yl)-1,8-naphthyridin-1-ium-3-carboxylate-κ2O,O′)copper(II) benzene-1, 4-dicarboxylate dihydrate, C38H42F2CuN8O12
  76. Redetermination of the crystal structure of potassium lithium molybdate monohydrate, KLiMoO4·H2O
  77. Crystal structure of [tris(2-benzimidazolylmethyl)amine-κ3N](isonicotinate-κO) cobalt(II) [tris(2-benzimidazolylmethyl)amine-κ3N](isonicotinic acid-κO) cobalt(II) triperchlorate, C60H51N16O16Cl3Co2
  78. The crystal structure of tris(μ2-1,3-bis(4,4,4-trifluoro-3-oxido-1-(oxo)but-2-en-1-yl)phenyl-κ4O,O′:O′′,O′′′)-bis(1,2-dimethoxyethane-κ2O,O′)dicerium(III), C50H38F18O16Ce2
  79. Crystal structure of 8-isopropyl-8-aza-bicyclo[3.2.1]octan-3-ol, C10H19NO
  80. Crystal structure of 2,4-dibenzoyl-N,N-dimethylbenzenamine, C22H19NO2
  81. The crystal structure of 2-(4-methoxyphenyl)-6,8-diphenyl-4-(phenylamino)quinazoline — acetonitrile (1/1), C35H28N4O
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