Home Physical Sciences Crystal structure of (E)-2-(bis(methylthio)methylene)-1-phenyl-3-(2-phenylhydrazono)butan-1-one, C19H20N2OS2
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Crystal structure of (E)-2-(bis(methylthio)methylene)-1-phenyl-3-(2-phenylhydrazono)butan-1-one, C19H20N2OS2

  • Yahia N. Mabkhot EMAIL logo , Assem Barakat , Salim S. Al-Showiman , Saied M. Soliman , Wolfgang Frey and Hazem A. Ghabbour
Published/Copyright: February 13, 2016
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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 231 Issue 2

Abstract

C19H20N2OS2, monoclinic, P21/c (no. 14), a = 10.6164(9) Å, b = 8.4131(6) Å, c = 20.2448(16) Å, β = 100.021(4)°, V = 1780.6(2) Å3, Z = 4, Rgt(F) = 0.040, wR(F2) = 0.081, T = 100 K.

CCDC no.:: 1030324

The crystal structure is shown in the figure. Tables 1–3 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters.

Table 1

Data collection and handling.

Crystal:Yellow, plates, size 0.15×0.33×0.43 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:3.07 cm−1
Diffractometer, scan mode:Bruker Kappa APEXII duo, ω + φ-Scans
2θmax:61.24°
N(hkl)measured, N(hkl)unique:46960, 5464
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 4781
N(param)refined:224
Programs:SHELX [4]
Table 2

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

AtomSitexyzUiso
H(1)4e0.156(2)0.387(2)−0.0211(8)0.029(4)
H(4A)4e−0.02350.2933−0.03210.025
H(4B)4e−0.09250.18190.01490.025
H(4C)4e0.05140.14520.00580.025
H(6)4e0.30540.4900−0.08310.023
H(7)4e0.45920.6800−0.09500.028
H(8)4e0.53660.8526−0.00660.030
H(9)4e0.45670.83420.09370.028
H(10)4e0.30340.64230.10710.024
H(11A)4e−0.2819−0.01300.14960.042
H(11B)4e−0.2423−0.15170.10310.042
H(11C)4e−0.27850.02080.07210.042
H(12A)4e−0.12710.03150.26540.050
H(12B)4e−0.17470.15120.31740.050
H(12C)4e−0.03320.16710.30090.050
H(15)4e−0.00420.74470.24700.025
H(16)4e0.12890.78160.35090.031
H(17)4e0.27850.58740.39310.031
H(18)4e0.29950.35740.33140.029
H(19)4e0.16330.31580.22860.023
Table 3

Atomic displacement parameters (Å2).

AtomSitexyzU11U22U33U12U13U23
S(1)4e−0.07224(2)0.02230(3)0.13364(1)0.0195(1)0.0113(1)0.0180(1)−0.00014(8)0.00302(9)0.00020(8)
O(1)4e−0.07605(7)0.61738(9)0.13255(4)0.0251(4)0.0141(3)0.0176(3)0.0027(3)0.0031(3)0.0000(3)
C(1)4e−0.08549(9)0.2242(1)0.15450(5)0.0172(4)0.0130(4)0.0137(4)0.0004(3)0.0032(3)−0.0009(3)
N(1)4e0.19657(8)0.4306(1)0.01713(4)0.0195(4)0.0177(4)0.0135(4)−0.0026(3)0.0054(3)−0.0022(3)
S(2)4e−0.18064(3)0.27524(3)0.21456(1)0.0243(1)0.0185(1)0.0208(1)−0.00243(9)0.0111(1)−0.00211(9)
N(2)4e0.13419(8)0.4307(1)0.07033(4)0.0176(4)0.0143(3)0.0121(3)0.0016(3)0.0037(3)0.0004(3)
C(2)4e−0.02341(9)0.3428(1)0.12802(4)0.0164(4)0.0121(4)0.0123(4)0.0010(3)0.0019(3)−0.0007(3)
C(3)4e0.03806(9)0.3340(1)0.06819(4)0.0175(4)0.0112(4)0.0115(4)0.0021(3)0.0022(3)0.0003(3)
C(4)4e−0.0109(1)0.2295(1)0.00903(5)0.0227(5)0.0143(4)0.0128(4)−0.0009(3)0.0023(3)−0.0015(3)
C(5)4e0.28873(9)0.5478(1)0.01314(5)0.0150(4)0.0157(4)0.0167(4)0.0012(3)0.0029(3)0.0013(3)
C(6)4e0.3361(1)0.5597(1)−0.04694(5)0.0184(5)0.0221(5)0.0175(4)0.0011(4)0.0048(4)0.0011(4)
C(7)4e0.4276(1)0.6727(1)−0.05395(6)0.0191(5)0.0269(5)0.0257(5)0.0014(4)0.0082(4)0.0063(4)
C(8)4e0.4736(1)0.7754(1)−0.00169(6)0.0175(5)0.0208(5)0.0355(6)−0.0015(4)0.0042(4)0.0054(4)
C(9)4e0.4262(1)0.7636(1)0.05788(6)0.0206(5)0.0193(5)0.0290(5)−0.0015(4)0.0010(4)−0.0025(4)
C(10)4e0.3344(1)0.6500(1)0.06595(5)0.0202(5)0.0200(5)0.0191(4)−0.0002(4)0.0034(4)−0.0018(4)
C(11)4e−0.2376(1)−0.0372(1)0.11216(7)0.0216(5)0.0182(5)0.0412(7)−0.0033(4)−0.0025(5)−0.0040(4)
C(12)4e−0.1223(2)0.1410(2)0.28232(6)0.0570(8)0.0276(6)0.0178(5)−0.0071(6)0.0124(5)0.0024(4)
C(13)4e−0.01677(9)0.5052(1)0.16126(5)0.0165(4)0.0135(4)0.0139(4)−0.0010(3)0.0054(3)−0.0007(3)
C(14)4e0.06615(9)0.5254(1)0.22809(5)0.0175(4)0.0160(4)0.0139(4)−0.0028(3)0.0047(3)−0.0015(3)
C(15)4e0.0563(1)0.6654(1)0.26433(5)0.0208(5)0.0212(5)0.0219(5)−0.0024(4)0.0060(4)−0.0075(4)
C(16)4e0.1358(1)0.6874(2)0.32585(6)0.0238(5)0.0322(6)0.0229(5)−0.0086(4)0.0081(4)−0.0135(4)
C(17)4e0.2251(1)0.5721(2)0.35083(5)0.0240(5)0.0363(6)0.0162(4)−0.0121(5)0.0019(4)−0.0035(4)
C(18)4e0.2369(1)0.4347(1)0.31452(5)0.0233(5)0.0263(5)0.0206(5)−0.0053(4)−0.0019(4)0.0040(4)
C(19)4e0.1565(1)0.4106(1)0.25330(5)0.0213(5)0.0173(4)0.0180(4)−0.0021(4)0.0020(4)0.0003(3)

Source of material

The reagents and solvents used in this study are commercially available. The synthesis of (E)-2-(bis(methylthio)methylene)-1-phenyl-3-(2-phenylhydrazono)butan-1-one was carried out according to following procedure: A mixture of 2.80 g (0.01 mol) (E)-2-(bis(methylthio)methylene)-3-hydrazono-1-phenylbutan-1-one and 0.02 mol of phenylhydrazine in 35 mL of ethanol was refluxed for 3 h. The reaction mixture was cooled filtered. The precipitated product was filtered and washed with ethanol and dried; the precipitated was recrystallized from ethanol. Yield: 79%; m.p. 175 °C; IR (νmax): 3292, 3060, 2916, 1770, 1645, 1512, 1228, 1156 cm−1; 1H—NMR (400 MHz, CDCl3): δ 2.17 (s, 3H, CH3), 2.23 (s, 3H, CH3), 2.60 (s, 3H, CH3), 7.28–7.73 (m, 10H, Ph); 13C—NMR (100 MHz, DMSO-d6): δ 13.3, 17.8, 113.0, 12;.5, 125.3, 128.7, 129.6, 129.9, 134.8, 137.9, 143.2, 155.8, 181.6, 195.0; MS m/z (%): 356.50 [M+, 50°]; Anal. calcd. for C19H20N2OS2: C, 64.01; H, 5.65; N, 7.86; O, 4.49; S, 17.99%. Found: C, 64.03; H, 5.66; N, 7.88; S, 18.02%.

Discussion

Ketene S,S dithioacetals are very useful intermediates for the construction of heterocyclic compounds such as polysubstituted pyrazoles, pyrimidines and quinolones [1–3]. The structure of the title compound was elucidated by spectroscopic methods and X-ray diffraction. The molecules packing in the crystal structure is stabilized by intermolecular hydrogen bonds (N1—H1⋯O1).

Corresponding author: Yahia N. Mabkhot, Department of Chemistry, College of Science, King Saud University, P. O. Box 2455, Riyadh 11451, Saudi Arabia, e-mail:

Acknowledgements:

The authors extend their sincere appreciation to the Deanship of Scientific Research at king Saud University for its funding this Prolific Research group (PRG-1437-29).

References

1. Stein, P. D.; Shi, Y.; O'Connor, S. P.; Li, C.: PCT Int. Appl. 2001, WO 0196331.Search in Google Scholar

2. Hansen, J. B.; Tagmose, T. M.; Mogensen, J. P.; Dorwald, F. Z.; Jorgensen, A. S.: PCT Int. Appl. 2000, WO 0027805.Search in Google Scholar

3. Ebraheem, M. A.; Lokanatha Rai, K. M.; Kudva, N. U.; Bahjat, A. S.: Synthesis of new polysubstituted (pyrazoles, pyrimidines and quinolines) five and six-membered heterocycles: reaction of a = α-dioxoketene dithioacetals with nucleophiles. Tetrahedron Lett. 51 (2010) 3486–3492.10.1016/j.tetlet.2010.04.003Search in Google Scholar

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Received: 2015-11-25
Accepted: 2016-1-13
Published Online: 2016-2-13
Published in Print: 2016-6-1

©2016 Yahia N. Mabkhot et al., published by De Gruyter.

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

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  25. Crystal structure of poly [μ2-acetato-κ3-O,O′:O′)diaqua(μ3-isophthalato-κ4O,O′:O′′:O′′′)cerium(III)] monohydrate (C10H13O9Ce)
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  67. Crystal structure of 1-(2-chlorophenyl)-2-(2-nitrophenyl)ethan-1-ol, C14H12ClNO3
  68. Crystal structure of (Z)-2-((2-bromo-1-phenylvinyl)oxy)benzonitrile, C15H10BrNO
  69. Crystal structure of tetrachlorido(1E,1′E)-N,N′-((1,4-phenylenebis(propane-2,2-diyl))bis(4,1-phenylene))bis(1-(pyridin-2-yl-κN)methanimine-κN)dizinc(II), C36H34N4Zn2Cl4
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  71. Crystal structure of trans-bis(2-methylmaleato-κ2O,O′) bis(piperazinium-κN) cobalt(II) trihydrate, C18H36CoN4O11
  72. Crystal structure of (E)-4-chloro-N′-(4-(diethylamino)benzylidene)benzohydrazide, C18H20ClN3O
  73. Crystal structure of 3,6-di(1H-imidazol-1-yl)-9H-carbazole, C18H13N5
  74. Crystal structure of 4-(4-pyridinyl)-1-naphthoic acid, C16H11NO2
  75. Crystal structure of 1,1′-diformyl-4,4′-(6H,12H-5,11-methano-dibenzo[b,f][11,5]diazocine-2,8-diyl)dibenzene, C29H22N2O2
  76. Crystal structure of N′-(adamantan-2-ylidene)pyridine-3-carbohydrazide, C16H19N3O
  77. Crystal structure of 1,1′-(butane-1,4-diyl)bis(5-methyl-1H-pyrazole-3-carbaldehyde), C14H18N4O2
  78. Crystal structure of methyl 8-hydroxy-3-isopropyl-5a,8-dimethyl-2,3,4,5,5a,6,7,8,10a,10b-decahydrocyclohepta[e]indene-3a(1H)-carboxylate, C21H34O3
  79. Crystal structure of 6-oxo-4-propyl-2-(propylthio)-1,6-dihydropyrimidine-5-carbonitrile, C11H15N3OS
  80. Crystal structure of poly[diacetato(μ2-1,4-bis(1H-imidazol-1-yl)benzene-κ2N:N′)nickel(II)], C26H22N8NiO4
  81. Crystal structure of bis(2,4-dibromo-6-{(E)[(4-fluorobenzyl)imino]methyl}phenolato-κ2N,O) copper(II), C28H18Br4F2N2O2Cu
  82. Crystal structure of 1-(adamantan-1-yl)-3-phenylthiourea, C17H22N2S
  83. Crystal structure of 3-(6-(5-amino-1-phenyl-1H-pyrazol-3-yl)pyridin-2-yl)-1-phenyl-1H-pyrazol-5-amine – dioxan (2/1), C25H23N7O
  84. Crystal structure of 5-ethyl-6-[(3-methylphenyl)sulfanyl]pyrimidine-2,4(1H,3H)-dione, C13H14N2O2S
  85. Crystal structure of (((1E,1′E)-(cyclohexane-1,2-diylbis(azanylylidene-κ2N,N′))bis(methanylylidene))bis(2,1-phenylene))bis((2,6-diisopropylphenyl)amide-κ2N′′,N′′′)manganese(II), C44H54N4Mn
  86. Crystal structure of prop-2-en-1-yl 2-oxo-2H-1-benzopyran-3-carboxylate, C13H10O4
  87. Crystal structure of bis(μ2-2-((3-methylphenyl)imino)methylphenolato-κ2N,O:O)hexacarbonyldimanganese(I), C34H24Mn2N2O8
  88. Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxybut-2-en-1-one C9H12N2O2
  89. Crystal structure of 2,2′-[pentane-1,5-diylbis(oxy)]dibenzaldehyde, C19H20O4
  90. Crystal structure of 2-phenyl-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-d][1,3]oxazin-4-one, C16H13NO2S
  91. Crystal structure of (E)-1-(2-chlorophenyl)-N-(4-chlorophenyl)methanimine, C13H9Cl2N
  92. Crystal structure of ethyl 2-amino-5-bromothiazole-4-carboxylate, C6H7BrN2O2S
  93. Crystal structure of 2-benzylisothiouronium tetraphenylborate, C32H31BN2S
  94. Crystal structure of poly[(μ2-biphenyl-2,2′-dicarboxylato-κ4O,O′:O′′,O′′′)(μ2-4,4′-bipyridine-κ2N:N′)copper(II)], C24H16CuN2O4
  95. Crystal structure of (η5-pentamethylcyclopentadienyl)titanium(III)dichloride (THF), C14H23Cl2OTi
  96. Crystal structure of 3-ferrocenylsulfonyl-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridine, C23H19FeN3O3S
  97. Crystal structure of 2-benzoyl-3-(4-fluorophenyl)cyclopropane-1,1-dicarbonitrile, C18H11FN2O
  98. Crystal structure of 1,6-ditosyl-1,6-diazecane, C22H30N2O4S2
  99. Crystal structure of N-phenyl-2-(pyridin-4-ylcarbonyl)hydrazinecarboxamide with Z′ = 4, C13H12N4O2
  100. Crystal structure of N,N-bis(diphenylphosphanyl)cyclohexylamine, C30H31NP2
  101. Crystal structure of 3-(4-hydroxy-3-methoxyphenyl)-N-phenylpropanamide, C16H17NO3
  102. Crystal structure of 6-(2-fluorophenyl)-3-phenyl-[1,2,4]-triazolo[3,4-b][1,3,4]thiadiazole, C15H9FN4S
  103. Crystal structure of catena-poly[aqua(dicyanoazanido-2κN-μ2-dicyanoazanido-1κN:2κN′)(μ2-2-methoxy-6-(((2-((3-methoxy-2-oxidobenzylidene)amino)ethyl)imino)methyl)phenolato-1κ2N,N′,2κ2O,O′,1κ2O′′,O′′′:2κ2O′′,O′′′)cadmium(II)copper(II)], C22H20CdCuN8O5
https://doi.org/10.1515/ncrs-2015-0145
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Articles in the same Issue

  1. Cover and Frontmatter
  2. Crystal structure of fac-hexacarbonylbisμ2-(3-carboxy-3′-carboxylato-2,2′-bipyridine)-κ3N,N′:O-dirhenium(I) tetrahydrate, C30H22N4O18Re2
  3. The crystal structure of bis(4-(2,4-dimethylphenyl)piperazin-1-yl)methane, C25H36N4
  4. Crystal structure of bis(triphenylphosphine-κP)bis(μ2-1H,1′H-2,2′-biimidazole-κ3N,N′:N′)disilver(I) bis(tetrafluoroborate), C48H42Ag2B2F8N8P2
  5. The crystal structure of 1,2-bis(2-pyrazinecarboxamido)-benzene, C16H12N6O2
  6. Redetermination of the crystal structure of 3-bromobenzoic acid, C7H5BrO2
  7. Crystal structure of bis(ethyltriphenylphos-phonium) tetrabromidocuprate(II), (C20H20P)2[CuBr4]
  8. Crystal structure of 2-(4-bromophenyl)-1,3-dimethyl-2,3-dihydro-1H-perimidine, C19H17BrN2
  9. Crystal structure of trans-diaqua-bis(3-(pyrazin-2-yl)-5-(pyridin-4-yl)1,2,4-triazol-1-ido-κ2N,N′)-cobalt(II),C22H18CoN12O2
  10. Crystal structure of hexaaquamanganese(II) bis((E)-4-((4-(dimethylamino)phenyl)diazenyl)benzenesulfonate), C28H40MnN6O12S2
  11. Crystal structure of butyl 2-(3,5-dimethyl-1,1-dioxido-2H-1,2,6-thiadiazin-4-yl)benzoate, C16H20N2O4S
  12. Crystal structure of hexaaquabis(μ2-3-(6-carboxylatopyridin-2-yl)-5-(pyrazin-2-yl)-1,2,4-triazol-1-ido)bis(μ3-3-(6-carboxylatopyridin-2-yl)-5-(pyrazin-2-yl)-1,2,4-triazol-1-ido)tetra-manganese(II) dihydrate, C48H40Mn4N24O16
  13. Crystal structure of catena-poly[diaqua-bis(μ2-1,3-di(pyridin-4-yl)propane-κ2N:N′)cadmate(II)] bis(2-aminoisonicotinate) tetrahydrate, C38H50CdN8O10
  14. Crystal structure of succinic acid — 4-((pyridin-4-ylmethyl)sulfanylpyridine (1/1), C15H16N2O4S
  15. Crystal structure of tetrakis(μ2-acetato-κ2O:O′)bis(2-((pyridin-4-ylmethyl)sulfanyl)pyridine-κN)dicopper(II), C30H32N4O8S2Cu2
  16. Crystal structure of 1-((2R,3S)-2,3-dimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)-2-phenoxyethan-1-one, C18H19NO3
  17. Crystal structure of tetramethylammonium sulfanilate, C10H18N2O3S
  18. Crystal structure of triethylammonium 2′-carboxy-[1,1′-biphenyl]-2-carboxylate, C20H25NO4
  19. Crystal structure of 2-(4-acetyl-2,6-dimethylphenyl)-5,6-dichloro-1H-isoindole-1,3(2H)-dione, C18H13Cl2NO3
  20. Crystal structure of diaqua-bis(μ3-2-methyl-6-oxidopyridinium-4-carboxylato-κ3O:O′:O′′)neodymium(III) chloride, C14H16ClN2O8Nd
  21. Crystal structure of 5-methoxy-4-methyl-2-(2-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, C12H15N3O2
  22. The crystal structure of 1-(4-(2-chloroethoxy)phenyl)ethanone
  23. Crystal structure of (E)-4-(2-(4-(diethylamino)phenyl)diazen-1-ium-1-yl)benzenesulfonate monohydrate
  24. Crystal structure of 2,2′-[(1E)-prop-1-ene-1,2-diyldisulfanediyl]bis(5-methyl-2,5-dihydro-1,3,4-thiadiazole, C9H10N4S4
  25. Crystal structure of poly [μ2-acetato-κ3-O,O′:O′)diaqua(μ3-isophthalato-κ4O,O′:O′′:O′′′)cerium(III)] monohydrate (C10H13O9Ce)
  26. Crystal structure of tris((2-(2,2-dicyanovinyl)phenoxy)ethyl)amine, C36H27N7O3
  27. Crystal structure of catena[diaqua-bis(μ2-1,3-bis((1H-tetrazol-1-yl)methyl)benzene-κ2N:N′)copper(II)] dinitrate, C20H24CuN18O8
  28. Crystal structure of (4-(1H-imidazol-5-yl)benzoic acid-κN) (4-(1H-imidazol-5-yl)benzoato-κN)silver(I), C20H15N4O4Ag
  29. Crystal structure of 2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(3,4,5-trifluorophenyl)-4H-5,6,7,8-tetrahydrobenzo[b]pyran, C18H15F3N2O2
  30. Crystal structure of (2-(2-chlorophenyl)-5-ethyl-1,3-dioxan-5-yl)methanol hemihydrate, C13H17ClO3 · 0.5 H2O
  31. Crystal structure of catena-poly[diaqua-bis(benzene-1,2,4,5-tetracarboxylato-κN)(m2-2-(1H-1,2,4-trizol-1-ylmethyl)-1H-3,1-benzimidazol-3-ium-κ2O:O′)zinc(II)] dihydrate, C30H30N10O12Zn
  32. Crystal structure of [2,2′-((((ethane-1,2-diylbis(oxy-κ2O,O′))bis(2,1-phenylene))bis(azanylylidene-κ2N,N′))bis(methanylylidene))diphenolato-κ2O′′,O′′′]zinc(II), C28H22N2O4Zn
  33. Crystal structure of (E)-1-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one, C13H17NO3
  34. Crystal structure of bis(2-fluoro-4-nitrophenyl) terephthalate C20H10F2N2O8
  35. Crystal structure of catena-[aqua((4-carboxyphenyl)acetato-κO)(μ2-(4-carboxyphenyl)acetato-κ2O:O′)bis(4,4′-ethene-1,2-diyldipyridine-κN)manganese(II)], C42H36N4O9Mn
  36. Crystal structure of N′-(2-hydroxybenzylidene)-3,4-dimethyl-1H-pyrrole-2-carbohydrazide, C14H15N3O2
  37. Crystal structure of bis(8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ2O,O′)copper(II) benzene-1,4-dicarboxylate dihydrate, C36H42CuN10O12
  38. Crystal structure of diaquabis(μ2-biphenyl-2,2′-dicarboxylato-κ2O:O′)bis(1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylato)zinc(II), C60H56N6Zn2O16F2
  39. Crystal structure of 2-amino-4-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13FN2O2
  40. The crystal structure of hexaqua(μ2-3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-1κ2O,O′;2κO′)(3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κO)(3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κ2O,O′)digadolinium(III) octahydrate, C60H76Gd2N18O32
  41. Crystal structure of hexacarbonyl bis(μ2-2-methoxybenzenethiolato-κ2S)pyridine(triphenylphosphane)dirhenium(I), C43H34NO8PS2Re2
  42. Crystal structure of 14-((1-(benzyloxycarbonyl-amino)-2-methylpropan-2-yl)sulfanyl)acetate Mutilin, C34H49NO6S
  43. Crystal structure of 2-methoxy-6-(((2-(1-methyl-1H-benzo[d] imidazol-2-yl)phenyl)imino)methyl)phenol — ethanol (1/1), C24H25N3O3
  44. Crystal structure of 2-(bis(methylthio)methylene)-1-phenylbutane-1,3-dione, C13H14O2S2
  45. Crystal structure of (E)-2-(bis(methylthio)methylene)-1-phenyl-3-(2-phenylhydrazono)butan-1-one, C19H20N2OS2
  46. Crystal structure of dichlorido(2-(1-methyl-1H-benzo[d]imidazol-2-yl)aniline-κ2N,N′)zinc(II)
  47. Crystal structure of bis(1-methyl-1H-tetrazole-5-thiolato)mercury(II)
  48. Crystal structure of (E)-2-styryl-1-ferrocenylsulfonyl-1H-imidazo[4,5-b]pyridine, C24H19FeN3O2S
  49. Crystal structure of aquabis(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)copper(II) thiophene-2,5-dicarboxylate trihydrate, [Cu(C17H18N3FO3)2(H2O)](C6H2SO4)·3(H2O)
  50. Crystal structure of 2-amino-4-(2,6-dichlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C18H16Cl2N2O2
  51. Crystal structure of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo[5·5·0·05·9·03·11]dodecane 1/3 hydrate, C6H8N12O13
  52. Crystal structure of monocarbonyl(N-nitroso-N-oxido-phenylamine-κ2O,O′)(triphenylarsine-κAs)rhodium(I), C25H20AsN2O3Rh
  53. The crystal structure of 1-(4-(4-chlorophenoxy)-2-chlorophenyl)ethanone, C14H10Cl2O2
  54. Crystal structure of N,N-diethyl-2-(2-(6-(4-methoxybenzyl)-7-oxo-7H-thiazolo[3,3-b][1,2,4]triazin-3-yl)phenoxy)acetamide, C25H26N4O4S
  55. Crystal structure of tetraqua((E)-4,4′-(diazene-1,2-diyl)bis(5-oxo-4,5-dihydro-1,2,4-triazol-1-ide)-κ2N:O)barium(II), C4H10N8O6Ba
  56. Crystal structure of 2-amino-4-(3-phenoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C22H18N2O3
  57. Crystal structure of diethylammonium 5-((4-fluorophenyl)(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate, C23H30FN5O6
  58. Crystal structure of 2-amino-4-(3,5-difluoro-phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12F2N2O2
  59. Crystal structure of tris(N-nitroso-N-oxyanilino-κ2O, O′) oxidoniobium(V), C18H15N6O7Nb
  60. Crystal structure of 1-(5-benzoyl-4-methyl-2-(phenylamino)thiophen-3-yl)ethan-1-one, a structure with Z′ = 6, C20H17NO2S
  61. Crystal structure of diethyl-3-methyl-4-phenylthieno[2,3-b]thiophene-2,5-dicarboxylate, C19H18O4S2
  62. Crystal structure of 3,5-dicarboxybenzoate — benzene-1,3,5-tricarboxylic acid (1/1), C24H22N2O12
  63. The crystal structure of 2-chloro-1,3-bis(2,4,6-trimethylphenyl)-4,4-dimethyl-1,3,2λ3,4-diazaphosphasiletidine
  64. Crystal structure of hexaquamanganese(II) bis(hexaborato-κ3O,O′,O′′)manganese(II) dihydrate, B12H28Mn2O34
  65. Crystal structure of 1-propyl-3-methylimidazolium pentaborate, [C7H13N2][B5O6(OH)4]
  66. Crystal structure of 13-(4-fluorophenyl)-11,13-dihydro-1H-benzo[h]indazolo[6,7-b] [1, 6]naphthyridin-12(6H)-one — dimethylformamide — water (1/2/1), C29H31FN6O4
  67. Crystal structure of 1-(2-chlorophenyl)-2-(2-nitrophenyl)ethan-1-ol, C14H12ClNO3
  68. Crystal structure of (Z)-2-((2-bromo-1-phenylvinyl)oxy)benzonitrile, C15H10BrNO
  69. Crystal structure of tetrachlorido(1E,1′E)-N,N′-((1,4-phenylenebis(propane-2,2-diyl))bis(4,1-phenylene))bis(1-(pyridin-2-yl-κN)methanimine-κN)dizinc(II), C36H34N4Zn2Cl4
  70. Crystal structure of 2,6-bis(3-methylpyridinyl)hexahydro-4,8-ethenopyrrolo-[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone, C24H20N4O4
  71. Crystal structure of trans-bis(2-methylmaleato-κ2O,O′) bis(piperazinium-κN) cobalt(II) trihydrate, C18H36CoN4O11
  72. Crystal structure of (E)-4-chloro-N′-(4-(diethylamino)benzylidene)benzohydrazide, C18H20ClN3O
  73. Crystal structure of 3,6-di(1H-imidazol-1-yl)-9H-carbazole, C18H13N5
  74. Crystal structure of 4-(4-pyridinyl)-1-naphthoic acid, C16H11NO2
  75. Crystal structure of 1,1′-diformyl-4,4′-(6H,12H-5,11-methano-dibenzo[b,f][11,5]diazocine-2,8-diyl)dibenzene, C29H22N2O2
  76. Crystal structure of N′-(adamantan-2-ylidene)pyridine-3-carbohydrazide, C16H19N3O
  77. Crystal structure of 1,1′-(butane-1,4-diyl)bis(5-methyl-1H-pyrazole-3-carbaldehyde), C14H18N4O2
  78. Crystal structure of methyl 8-hydroxy-3-isopropyl-5a,8-dimethyl-2,3,4,5,5a,6,7,8,10a,10b-decahydrocyclohepta[e]indene-3a(1H)-carboxylate, C21H34O3
  79. Crystal structure of 6-oxo-4-propyl-2-(propylthio)-1,6-dihydropyrimidine-5-carbonitrile, C11H15N3OS
  80. Crystal structure of poly[diacetato(μ2-1,4-bis(1H-imidazol-1-yl)benzene-κ2N:N′)nickel(II)], C26H22N8NiO4
  81. Crystal structure of bis(2,4-dibromo-6-{(E)[(4-fluorobenzyl)imino]methyl}phenolato-κ2N,O) copper(II), C28H18Br4F2N2O2Cu
  82. Crystal structure of 1-(adamantan-1-yl)-3-phenylthiourea, C17H22N2S
  83. Crystal structure of 3-(6-(5-amino-1-phenyl-1H-pyrazol-3-yl)pyridin-2-yl)-1-phenyl-1H-pyrazol-5-amine – dioxan (2/1), C25H23N7O
  84. Crystal structure of 5-ethyl-6-[(3-methylphenyl)sulfanyl]pyrimidine-2,4(1H,3H)-dione, C13H14N2O2S
  85. Crystal structure of (((1E,1′E)-(cyclohexane-1,2-diylbis(azanylylidene-κ2N,N′))bis(methanylylidene))bis(2,1-phenylene))bis((2,6-diisopropylphenyl)amide-κ2N′′,N′′′)manganese(II), C44H54N4Mn
  86. Crystal structure of prop-2-en-1-yl 2-oxo-2H-1-benzopyran-3-carboxylate, C13H10O4
  87. Crystal structure of bis(μ2-2-((3-methylphenyl)imino)methylphenolato-κ2N,O:O)hexacarbonyldimanganese(I), C34H24Mn2N2O8
  88. Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxybut-2-en-1-one C9H12N2O2
  89. Crystal structure of 2,2′-[pentane-1,5-diylbis(oxy)]dibenzaldehyde, C19H20O4
  90. Crystal structure of 2-phenyl-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-d][1,3]oxazin-4-one, C16H13NO2S
  91. Crystal structure of (E)-1-(2-chlorophenyl)-N-(4-chlorophenyl)methanimine, C13H9Cl2N
  92. Crystal structure of ethyl 2-amino-5-bromothiazole-4-carboxylate, C6H7BrN2O2S
  93. Crystal structure of 2-benzylisothiouronium tetraphenylborate, C32H31BN2S
  94. Crystal structure of poly[(μ2-biphenyl-2,2′-dicarboxylato-κ4O,O′:O′′,O′′′)(μ2-4,4′-bipyridine-κ2N:N′)copper(II)], C24H16CuN2O4
  95. Crystal structure of (η5-pentamethylcyclopentadienyl)titanium(III)dichloride (THF), C14H23Cl2OTi
  96. Crystal structure of 3-ferrocenylsulfonyl-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridine, C23H19FeN3O3S
  97. Crystal structure of 2-benzoyl-3-(4-fluorophenyl)cyclopropane-1,1-dicarbonitrile, C18H11FN2O
  98. Crystal structure of 1,6-ditosyl-1,6-diazecane, C22H30N2O4S2
  99. Crystal structure of N-phenyl-2-(pyridin-4-ylcarbonyl)hydrazinecarboxamide with Z′ = 4, C13H12N4O2
  100. Crystal structure of N,N-bis(diphenylphosphanyl)cyclohexylamine, C30H31NP2
  101. Crystal structure of 3-(4-hydroxy-3-methoxyphenyl)-N-phenylpropanamide, C16H17NO3
  102. Crystal structure of 6-(2-fluorophenyl)-3-phenyl-[1,2,4]-triazolo[3,4-b][1,3,4]thiadiazole, C15H9FN4S
  103. Crystal structure of catena-poly[aqua(dicyanoazanido-2κN-μ2-dicyanoazanido-1κN:2κN′)(μ2-2-methoxy-6-(((2-((3-methoxy-2-oxidobenzylidene)amino)ethyl)imino)methyl)phenolato-1κ2N,N′,2κ2O,O′,1κ2O′′,O′′′:2κ2O′′,O′′′)cadmium(II)copper(II)], C22H20CdCuN8O5
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