Abstract
C36H32Cl2O4S5, orthorhombic, Pccn (no. 56), a = 15.4426(11) Å, b = 17.4623(13) Å, c = 25.9153(19) Å, V = 6988.4(9) Å3, Z = 8, Rgt(F) = 0.0590, wRref(F2) = 0.1958, T = 291(2) K.
The crystal structure is shown in the figure. Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters.
Data collection and handling.
Crystal: | Yellow block |
Size: | 0.38 × 0.27 × 0.13 mm |
Wavelength: | Mo Kα radiation (0.71073 Å) |
μ: | 0.52 mm−1 |
Diffractometer, scan mode: | Bruker SMART, φ and ω-scans |
2θmax, completeness: | 27.5°, >99% |
N(hkl)measured, N(hkl)unique, Rint: | 42129, 8015, 0.032 |
Criterion for Iobs, N(hkl)gt: | Iobs > 2 σ(Iobs), 4993 |
N(param)refined: | 426 |
Programs: | Bruker programs [1, 2] , SHELX [3] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
Atom | x | y | z | Uiso*/Ueq |
---|---|---|---|---|
Cl1 | 0.75994(12) | 0.63585(11) | 0.31194(7) | 0.1412(6) |
Cl2 | 0.87877(9) | 0.67621(8) | 0.23222(7) | 0.1163(5) |
S1 | 0.31810(6) | 1.09516(8) | 0.40616(4) | 0.0810(3) |
S2 | 0.14302(7) | 1.16296(7) | 0.42987(4) | 0.0782(3) |
S3 | −0.04293(7) | 1.15954(9) | 0.45992(5) | 0.1062(5) |
S4 | 0.05758(6) | 1.01733(7) | 0.43961(4) | 0.0721(3) |
S5 | 0.21069(6) | 0.92363(7) | 0.40802(4) | 0.0745(3) |
O1 | 0.46017(14) | 1.07698(12) | 0.33079(9) | 0.0578(6) |
O2 | 0.51328(14) | 0.99620(14) | 0.42124(10) | 0.0638(6) |
H2 | 0.4856 | 0.9570 | 0.4267 | 0.096* |
O3 | 0.40043(13) | 0.86555(12) | 0.41801(8) | 0.0499(5) |
O4 | 0.39416(16) | 0.93281(12) | 0.32067(8) | 0.0574(6) |
H4 | 0.4040 | 0.9782 | 0.3150 | 0.086* |
C1 | 0.53234(19) | 1.06803(15) | 0.29898(12) | 0.0466(7) |
C2 | 0.52000(19) | 1.04000(17) | 0.24921(12) | 0.0484(7) |
C3 | 0.5928(2) | 1.03149(19) | 0.21806(13) | 0.0556(8) |
H3 | 0.5864 | 1.0140 | 0.1844 | 0.067* |
C4 | 0.6744(2) | 1.0487(2) | 0.23647(14) | 0.0577(8) |
H4A | 0.7223 | 1.0443 | 0.2149 | 0.069* |
C5 | 0.6852(2) | 1.07219(18) | 0.28651(14) | 0.0557(8) |
H5 | 0.7407 | 1.0818 | 0.2989 | 0.067* |
C6 | 0.6138(2) | 1.08206(17) | 0.31940(13) | 0.0493(7) |
C7 | 0.6293(2) | 1.10263(19) | 0.37564(14) | 0.0622(9) |
H7A | 0.6726 | 1.1427 | 0.3777 | 0.075* |
H7B | 0.5761 | 1.1222 | 0.3905 | 0.075* |
C8 | 0.6592(2) | 1.03458(19) | 0.40615(12) | 0.0529(7) |
C9 | 0.7474(2) | 1.0196(2) | 0.41321(13) | 0.0632(9) |
H9 | 0.7881 | 1.0538 | 0.4002 | 0.076* |
C10 | 0.7752(2) | 0.9551(2) | 0.43918(14) | 0.0662(10) |
H10 | 0.8341 | 0.9462 | 0.4437 | 0.079* |
C11 | 0.7158(2) | 0.9041(2) | 0.45837(13) | 0.0620(9) |
H11 | 0.7352 | 0.8607 | 0.4756 | 0.074* |
C12 | 0.6268(2) | 0.9158(2) | 0.45272(12) | 0.0533(7) |
C13 | 0.5995(2) | 0.98151(19) | 0.42665(12) | 0.0505(7) |
C14 | 0.5622(2) | 0.8582(2) | 0.47303(13) | 0.0607(8) |
H14A | 0.5111 | 0.8850 | 0.4853 | 0.073* |
H14B | 0.5874 | 0.8310 | 0.5020 | 0.073* |
C15 | 0.5360(2) | 0.80123(19) | 0.43190(13) | 0.0540(8) |
C16 | 0.5915(2) | 0.7417(2) | 0.41828(15) | 0.0676(10) |
H16 | 0.6428 | 0.7350 | 0.4365 | 0.081* |
C17 | 0.5720(3) | 0.6928(2) | 0.37869(17) | 0.0736(11) |
H17 | 0.6089 | 0.6522 | 0.3713 | 0.088* |
C18 | 0.4983(2) | 0.70339(19) | 0.34972(15) | 0.0639(9) |
H18 | 0.4871 | 0.6711 | 0.3220 | 0.077* |
C19 | 0.43994(19) | 0.76204(17) | 0.36149(13) | 0.0511(7) |
C20 | 0.45978(19) | 0.80813(16) | 0.40398(12) | 0.0464(7) |
C21 | 0.3614(2) | 0.77487(19) | 0.32779(13) | 0.0570(8) |
H21A | 0.3346 | 0.7258 | 0.3205 | 0.068* |
H21B | 0.3197 | 0.8057 | 0.3466 | 0.068* |
C22 | 0.38191(18) | 0.81403(18) | 0.27750(12) | 0.0506(7) |
C23 | 0.3839(2) | 0.7740(2) | 0.23143(16) | 0.0686(10) |
H23 | 0.3724 | 0.7217 | 0.2316 | 0.082* |
C24 | 0.4025(2) | 0.8096(3) | 0.18558(15) | 0.0726(11) |
H24 | 0.4041 | 0.7814 | 0.1551 | 0.087* |
C25 | 0.4189(2) | 0.8879(2) | 0.18478(14) | 0.0645(9) |
H25 | 0.4313 | 0.9119 | 0.1536 | 0.077* |
C26 | 0.41713(18) | 0.93040(19) | 0.22966(12) | 0.0511(7) |
C27 | 0.39856(17) | 0.89297(17) | 0.27589(12) | 0.0454(7) |
C28 | 0.4314(2) | 1.01632(19) | 0.22848(14) | 0.0575(8) |
H28A | 0.3868 | 1.0410 | 0.2489 | 0.069* |
H28B | 0.4257 | 1.0343 | 0.1932 | 0.069* |
C29 | 0.4127(2) | 1.14773(19) | 0.32570(16) | 0.0661(10) |
H29A | 0.4148 | 1.1655 | 0.2902 | 0.079* |
H29B | 0.4381 | 1.1868 | 0.3476 | 0.079* |
C30 | 0.3208(2) | 1.1331(2) | 0.34143(16) | 0.0683(10) |
H30A | 0.2945 | 1.0969 | 0.3178 | 0.082* |
H30B | 0.2881 | 1.1804 | 0.3400 | 0.082* |
C31 | 0.2064(2) | 1.0823(3) | 0.41640(14) | 0.0649(9) |
C32 | 0.1661(2) | 1.0144(2) | 0.42095(13) | 0.0608(9) |
C33 | 0.0468(2) | 1.1158(3) | 0.44374(14) | 0.0745(12) |
C34 | 0.2769(2) | 0.9074(2) | 0.46489(13) | 0.0633(9) |
H34A | 0.3094 | 0.9534 | 0.4729 | 0.076* |
H34B | 0.2400 | 0.8957 | 0.4941 | 0.076* |
C35 | 0.3385(2) | 0.8419(2) | 0.45553(14) | 0.0604(9) |
H35A | 0.3675 | 0.8281 | 0.4874 | 0.072* |
H35B | 0.3069 | 0.7975 | 0.4431 | 0.072* |
C36 | 0.8656(3) | 0.6406(3) | 0.2943(2) | 0.0944(15) |
H36A | 0.8909 | 0.5898 | 0.2962 | 0.113* |
H36B | 0.8965 | 0.6732 | 0.3184 | 0.113* |
Source of materials
A suspension of 25,27-bis(2-bromoethoxy)-26,28-dihydroxycalix[4]arene [4] (1.9 g, 3 mmol) and bis(tetraethylammonium) bis(1,3-dithiole-2-thione-4,5-dithiol)zincate [5] (1.5 g, 2.1 mmol) was refluxed for 20 h in acetonitrile (300 mL) under a nitrogen atmosphere. After the removal of the solvent, the residue was dissolved in methylene chloride (100 mL) and washed with water, and dried over anhydrous MgSO4. The crude product was purified by silica gel column chromatography with dichloromethane/petroleum ether (2:3) to give the title compound (49% yield) as a yellow powder [6]. Single crystals were obtained by slow evaporation from a dichloromethane and petroleum ether solution at room temperature.
Experimental details
In the crystal structure, all hydrogen atoms were positioned geometrically and refined using a riding model. Methyl C—H bonds were fixed at 0.97 Å with Uiso(H) = 1.5Ueq(C). Aromatic C—H distances were set to 0.93 Å and O—H set to 0.82 Å with Uiso(H) set to 1.2Ueq for the parent atoms.
Comment
Calixarene-tetrathiafulvalene derivatives have found a widespread use in molecular recognition, as molecular devices and electron transfer area [7]. As an intermediate of calixarene-tetrathiafulvalene, the synthesis of the title compound is important for us.
The title structure contains one 25,27-(2,2′-[(2-thioxo-1,3-dithiole-4,5-diyl)disulfanediyl]diethanolate)-26,28-dihydroxycalix[4]arene and one dichloromethane molecule. As shown in the figure, the calixarene skeleton adopts a cone conformation. The molecular conformation is stabilized by two intramolecular hydrogen bond (O2—H2⋯O3 (d(H2⋯O3) =2.08 Å) and O4—H4⋯O1 (d(H4⋯O1) = 1.97 Å).
All molecular geometric parameters are in the expected ranges [8].
Acknowledgement
This work was supported by the National Natural Science Foundation of China (Grant No. 20872058, 21172105).
References
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©2018 Lian-Wei Liu et al., published by De Gruyter, Berlin/Boston
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.
Articles in the same Issue
- Cover and Frontmatter
- Editorial 2018
- Crystal structure of dimethanol-bis{3-(((2-oxidonaphthalen-1-yl)methylene)amino)-2-oxo-2H-chromen-4-olato-κ3O,N:O′}dizinc(II), C42H30Zn2N2O10
- Crystal structure of aqua-bis{[2,6-dimethyl-N-(pyridin-2-ylmethylene)aniline-κ2N,N′]}zinc(II) triflate monohydrate [ZnC29H31N4O]CF3SO3⋅H2O
- Crystal structure of (E)-1-(4-{[(E)-4-Diethylamino-2-hydroxybenzene methylene]amino}phenyl)ethanone methoxy oxime, C20H27ClN3O3
- Crystal structure of (E)-1-(4-(((E)-4-(diethylamino)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one oxime, C19H23N3O2
- Crystal structure of poly[(μ2-1,4-bis((2-ethyl-1H-benzo[d]imidazol-1-yl)methyl)benzene-κ2N:N′)-(μ2-4,4′-sulfonyldibenzoato-κ2O:O′)zinc(II)], C40H34N4O6SZn
- Crystal structure of catena-poly[diaqua(μ3-pyrazine-2,3-dicarboxylato-κ4O,N:O′:O′′)zinc(II)] 1.25 hydrate, C6H8.5N2O7.25Zn
- Crystal structure of fac-(acetylacetonato-κ2O,O′)tricarbonyl(tri-m-tolyl phosphane-κP)rhenium(I), C29H28O5PRe
- Crystal structure of bis(μ2-methanolato-κ2O:O)-bis(methanol-κ1O)-bis{3-((4-methoxy-2-oxidobenzylidene)amino)-2-oxo-2H-chromen-4-olato-κ3O,O′,N}dichromium(III), C38H36Cr2N2O14
- Crystal structure of poly[aqua-(μ3-pyridine-3,5-dicarboxylato-κ5O,O′:O′′,O′′′,N)zinc(II)], C7H7NO6Zn
- Crystal structure of bis((1-(((4-(((benzyloxy)imino)methyl)phenyl)imino)methyl)naphthalen-2-yl)oxy-κ2O,N)copper(II), C52H42CuN4O4
- Crystal structure of bis{5-(diethylamino)-2-(((2-oxo-2H-chromen-6-yl)imino)methyl)phenolato-κ2O,N}cobalt(II), C40H38CoN4O6
- Crystal structure of diaqua-bis(N,N-dimethylformamide-κ1O)-bis{3-((5-chloro-2-oxidobenzylidene)amino)-2-oxo-2H-chromen-4-olato-κ4N,O,O′:O′}dinickel(II), C38H34Ni2Cl2N4O12
- Crystal structure of tetrakis(methanol-κO)bis{3-((4-methoxy-2-oxidobenzylidene)amino)-2-oxo-2H-chromen-4-olato-κ3O,N,O′}bicobalt(II), C38H38Co2N2O14
- Crystal structure of (S)-tert-butyl-(1-hydroxypropan-2-yl)carbamate, C8H17NO3
- Crystal structure of 4-(4′-(pyridin-4-yl)-[1,1′-biphenyl]-4-yl)pyridin-1-ium catena-poly[{5-carboxy-4′-methyl-[1,1′-biphenyl]-3-carboxylato-κ2O,O′}-(μ2-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-κ4O,O′:O′′,O′′′)lead(II)], C52H40N2O9Pb
- Crystal structure of catena-poly[diaqua-(μ2-5-methylisophthalato-κ2O:O′)(μ2-1,4-bis((1H-1,2,4-triazol-1-yl)methyl)benzene-κ2N:N′)], NiC21H22O6N6
- Crystal structure of the salt tris(guanidinium) tris(tetrapropylammonium) bis(pyridine-2,4,6-tricarboxylate) – water (1/10), C55H126N14O22
- Crystal structure of 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7,8-trimethoxy-4H-chromen-4-one, C19H18O8
- Crystal structure of poly{[μ2-1,1′-(sulfonylbis(4,1-phenylene))bis(2-methyl-1H-imidazole)-κ2N:N′][μ2-4,4′-oxydibenzoato-κ2O:O′]cobalt(II)} hemihydrate, C34H27N4O7.5SCo
- The crystal structure of 25,27-(2,2′-[(2-thioxo-1,3-dithiole-4,5-diyl)disulfanediyl]diethanolate)-26,28-dihydroxycalix[4]arene — dichloromethane (1/1), C36H32Cl2O4S5
- The crystal structure of 1,2-bis(3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)ethane, C16H12N6O2
- Crystal structure of 1-benzyl-3-((4-bromophenyl)amino)-4-(4-methoxyphenyl)-1H-pyrrole-2,5-dione, C24H19BrN2O3
- Crystal structure of bis(2-((allylcarbamothioyl)imino)-4-methylthiazol-3-ido-κ2N,S)palladium(II), C16H20N6PdS4
- Crystal structure of pyrimidine-2,5-dicarboxylic acid 1.5 hydrate, C12H14N4O11
- Crystal structure of trans-diaqua-bis(1H-pyrazole-3-carboxylato-κ2N,O)manganese(II), C8H10N4O6Mn
- Crystal structure of catena-(μ3-5-bromoisophthatato-κO,O′: O′′,O′′′′)-(1,2-bis(imidazol-1-yl)ethane-κN:N′)cobalt(II), C16H13CoN4O4Br
- Investigation of the compound La5Zn2−xPb1 + x (x = 0.20–0.32)
- Crystal structure of (OC-6-13)-diaqua-bis(3,5-di(pyridin-3-yl)-4H-1,2,4-triazol-4-amine-κ1N)-bis(dicyanamido-κ1N)zinc(II) tetrahydrate, ZnC28H32N18O6
- Crystal structure of Ga0.62(3)Sb0.38(3)Pd3
- Crystal structure of Ga0.47(1)Sb0.53(1)Pd2
- A derivative of the Corey lactone – crystal structure of (3aR,4S,5R,6aS)-4-(((tert-butyldimethylsilyl)oxy)methyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate, C21H30O5Si
- A Corey lactone: crystal structure of (3aR,4R,5R,6aS)-5-benzoyloxy-4(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one, C15H16O5
- Hydrothermal synthesis and crystal structure of poly[aqua-(μ2-1,3-bis(4-pyridyl)propane-κ2N:N′)-(μ2-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylato-κ2O:O′)manganese(II) hydrate, C22H20Cl6N2O6Mn
- Crystal structure of 2-acetylpyrrole S-methylthiosemicarbazonium hydroiodide, C8H13IN4S
- Crystal structure of [N,N-bis((pyrrol-2-yl)ethylidene)butane-1,4-diamine-κ4N,N′,N′′,N′′′]-nickel(II), C16H20N4Ni
- Crystal structure of poly[aqua-(μ5-2,5-dicarboxybenzoato-κ5O:O:O′:O′′:O′′′)sodium(I)], C9H7NaO7
- Crystal structure of bis(N′-((1H-pyrrol-2-yl)methylene)-1-methylthio-methanethiohydrazido-κ2S,N)nickel(II), C14H16N6NiS4
- Crystal structure of 1-(4-((benzo[d][1,3]dioxol-5-yloxy)methyl)phenethyl)-4-(3-chlorophenyl) piperazin-1-ium chloride, C26H28Cl2N2O3
- Crystal structure of 2-(4-(2-(4-(2-fluorophenyl)piperazin-1-yl)ethyl)benzyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide, C26H26FN3O3S – a saccharin dervative
- Crystal structure of 3-(2-dimethylaminoethyl)-2,3-dihydro-2-thioxoquinazolin-4(1H)-one, C12H15N3OS
- Crystal structure of 3-(3-dimethylaminopropyl)-2,3-dihydro-2-thioxoquinazolin-4(1H)-one, C13H17N3OS
- The crystal structure of trans-tetraaqua-bis(p-tolylsulfinato-κO)calcium(II)), C14H22O8S2Ca
- The crystal structure of (E)-N′-(pyridin-2-ylmethylene)pyrazine-2-carbohydrazide, C11H9N5O
- Crystal structure of (E)-3-(pyren-1-yl)-1-(pyridin-4-yl)prop-2-en-1-one, C24H15NO
- Crystal structure of catena-poly[diaqua-(μ2-tartrato-κ4O,O′:O′′,O′′′)cobalt(II)], C4H8CoO8
- Crystal structure of 4-chloro-2-methyl-6-(4-(trifluoromethoxy)phenyl)pyrimidine, C12H8ClF3N2O
- Crystal structure of 1-(4-fluorophenyl)-N-(5-((triphenylstannyl)thio)thiophen-2-yl)methanimine, C27H20FN3S2Sn
- Crystal structure of methyl (Z)-2-(5-fluoro-2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate, C10H8FN3OS2
- Crystal structure of tert-butyl (Z)-4-(2-(5-methoxy-3-(2-((methylthio)carbonothioyl)hydrazono)-2-oxoindolin-1-yl)ethyl)piperazine-1-carboxylate, C22H31N5O4S2
- The crystal structure of (E)-2-((2-(o-tolylcarbamothioyl)hydrazono)methyl)benzoic acid, C16H15N3O2S
- Crystal structure of 2-chloro-1,3-di-tert-pentyl-4,4-diphenyl-1,3,2λ3,4-diazaphosphasiletidine, C22H32ClN2PSi
- Crystal structure of tetramethyl 5,5′-(buta-1,3-diyne-1,4-diyl)diisophthalate, C24H18O8
- Crystal structural of 2-amino-4-(4-methoxyphenyl)-3-cyano-7,7-dimethyl-5-oxo-4H-5,6,7,8-tetrahydrobenzo[b]pyran, C19H20N2O3
- Crystal structure of 1,3,5-tris((trimethylsilyl)methyl)-1,3,5-triazinane-2,4,6-trione, C15H33N3O3Si3
- The crystal structure of bis(2-benzoyl-5-hydroxylphenolato-κ2O,O′)copper(II), C26H18CuO6
- Crystal structure of 2,6-bis(3-(pyrazin-2-yl)-1H-1,2,4-triazol-5-yl)pyridine – 1-ethyl-3-methyl-1H-imidazol-3-ium bromide (1/1), C23H22N13Br
- The crystal structure of (E)-N-benzyl-N′-benzylidene-4-methylbenzenesulfonohydrazide, C21H20N2O2S
- Crystal structure of ethyl (E)-5-((2-(3-hydroxybenzoyl)hydrazono)methyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate – water – ethanol (1/1/1), C19H27N3O6
- The crystal structure of (E)-4-(3-ethoxy-2-hydroxybenzylideneamino)benzoic acid, C16H15NO4
- Crystal structure of (μ2-N,N′-bis((pyridin-4-yl)methyl)ethanediamide-κ2N:N′)-tetrakis(diethylcarbamodithioato-κ2S,S′)dizinc(II), C34H54N8O2S8Zn2
Articles in the same Issue
- Cover and Frontmatter
- Editorial 2018
- Crystal structure of dimethanol-bis{3-(((2-oxidonaphthalen-1-yl)methylene)amino)-2-oxo-2H-chromen-4-olato-κ3O,N:O′}dizinc(II), C42H30Zn2N2O10
- Crystal structure of aqua-bis{[2,6-dimethyl-N-(pyridin-2-ylmethylene)aniline-κ2N,N′]}zinc(II) triflate monohydrate [ZnC29H31N4O]CF3SO3⋅H2O
- Crystal structure of (E)-1-(4-{[(E)-4-Diethylamino-2-hydroxybenzene methylene]amino}phenyl)ethanone methoxy oxime, C20H27ClN3O3
- Crystal structure of (E)-1-(4-(((E)-4-(diethylamino)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one oxime, C19H23N3O2
- Crystal structure of poly[(μ2-1,4-bis((2-ethyl-1H-benzo[d]imidazol-1-yl)methyl)benzene-κ2N:N′)-(μ2-4,4′-sulfonyldibenzoato-κ2O:O′)zinc(II)], C40H34N4O6SZn
- Crystal structure of catena-poly[diaqua(μ3-pyrazine-2,3-dicarboxylato-κ4O,N:O′:O′′)zinc(II)] 1.25 hydrate, C6H8.5N2O7.25Zn
- Crystal structure of fac-(acetylacetonato-κ2O,O′)tricarbonyl(tri-m-tolyl phosphane-κP)rhenium(I), C29H28O5PRe
- Crystal structure of bis(μ2-methanolato-κ2O:O)-bis(methanol-κ1O)-bis{3-((4-methoxy-2-oxidobenzylidene)amino)-2-oxo-2H-chromen-4-olato-κ3O,O′,N}dichromium(III), C38H36Cr2N2O14
- Crystal structure of poly[aqua-(μ3-pyridine-3,5-dicarboxylato-κ5O,O′:O′′,O′′′,N)zinc(II)], C7H7NO6Zn
- Crystal structure of bis((1-(((4-(((benzyloxy)imino)methyl)phenyl)imino)methyl)naphthalen-2-yl)oxy-κ2O,N)copper(II), C52H42CuN4O4
- Crystal structure of bis{5-(diethylamino)-2-(((2-oxo-2H-chromen-6-yl)imino)methyl)phenolato-κ2O,N}cobalt(II), C40H38CoN4O6
- Crystal structure of diaqua-bis(N,N-dimethylformamide-κ1O)-bis{3-((5-chloro-2-oxidobenzylidene)amino)-2-oxo-2H-chromen-4-olato-κ4N,O,O′:O′}dinickel(II), C38H34Ni2Cl2N4O12
- Crystal structure of tetrakis(methanol-κO)bis{3-((4-methoxy-2-oxidobenzylidene)amino)-2-oxo-2H-chromen-4-olato-κ3O,N,O′}bicobalt(II), C38H38Co2N2O14
- Crystal structure of (S)-tert-butyl-(1-hydroxypropan-2-yl)carbamate, C8H17NO3
- Crystal structure of 4-(4′-(pyridin-4-yl)-[1,1′-biphenyl]-4-yl)pyridin-1-ium catena-poly[{5-carboxy-4′-methyl-[1,1′-biphenyl]-3-carboxylato-κ2O,O′}-(μ2-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-κ4O,O′:O′′,O′′′)lead(II)], C52H40N2O9Pb
- Crystal structure of catena-poly[diaqua-(μ2-5-methylisophthalato-κ2O:O′)(μ2-1,4-bis((1H-1,2,4-triazol-1-yl)methyl)benzene-κ2N:N′)], NiC21H22O6N6
- Crystal structure of the salt tris(guanidinium) tris(tetrapropylammonium) bis(pyridine-2,4,6-tricarboxylate) – water (1/10), C55H126N14O22
- Crystal structure of 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7,8-trimethoxy-4H-chromen-4-one, C19H18O8
- Crystal structure of poly{[μ2-1,1′-(sulfonylbis(4,1-phenylene))bis(2-methyl-1H-imidazole)-κ2N:N′][μ2-4,4′-oxydibenzoato-κ2O:O′]cobalt(II)} hemihydrate, C34H27N4O7.5SCo
- The crystal structure of 25,27-(2,2′-[(2-thioxo-1,3-dithiole-4,5-diyl)disulfanediyl]diethanolate)-26,28-dihydroxycalix[4]arene — dichloromethane (1/1), C36H32Cl2O4S5
- The crystal structure of 1,2-bis(3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)ethane, C16H12N6O2
- Crystal structure of 1-benzyl-3-((4-bromophenyl)amino)-4-(4-methoxyphenyl)-1H-pyrrole-2,5-dione, C24H19BrN2O3
- Crystal structure of bis(2-((allylcarbamothioyl)imino)-4-methylthiazol-3-ido-κ2N,S)palladium(II), C16H20N6PdS4
- Crystal structure of pyrimidine-2,5-dicarboxylic acid 1.5 hydrate, C12H14N4O11
- Crystal structure of trans-diaqua-bis(1H-pyrazole-3-carboxylato-κ2N,O)manganese(II), C8H10N4O6Mn
- Crystal structure of catena-(μ3-5-bromoisophthatato-κO,O′: O′′,O′′′′)-(1,2-bis(imidazol-1-yl)ethane-κN:N′)cobalt(II), C16H13CoN4O4Br
- Investigation of the compound La5Zn2−xPb1 + x (x = 0.20–0.32)
- Crystal structure of (OC-6-13)-diaqua-bis(3,5-di(pyridin-3-yl)-4H-1,2,4-triazol-4-amine-κ1N)-bis(dicyanamido-κ1N)zinc(II) tetrahydrate, ZnC28H32N18O6
- Crystal structure of Ga0.62(3)Sb0.38(3)Pd3
- Crystal structure of Ga0.47(1)Sb0.53(1)Pd2
- A derivative of the Corey lactone – crystal structure of (3aR,4S,5R,6aS)-4-(((tert-butyldimethylsilyl)oxy)methyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate, C21H30O5Si
- A Corey lactone: crystal structure of (3aR,4R,5R,6aS)-5-benzoyloxy-4(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one, C15H16O5
- Hydrothermal synthesis and crystal structure of poly[aqua-(μ2-1,3-bis(4-pyridyl)propane-κ2N:N′)-(μ2-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylato-κ2O:O′)manganese(II) hydrate, C22H20Cl6N2O6Mn
- Crystal structure of 2-acetylpyrrole S-methylthiosemicarbazonium hydroiodide, C8H13IN4S
- Crystal structure of [N,N-bis((pyrrol-2-yl)ethylidene)butane-1,4-diamine-κ4N,N′,N′′,N′′′]-nickel(II), C16H20N4Ni
- Crystal structure of poly[aqua-(μ5-2,5-dicarboxybenzoato-κ5O:O:O′:O′′:O′′′)sodium(I)], C9H7NaO7
- Crystal structure of bis(N′-((1H-pyrrol-2-yl)methylene)-1-methylthio-methanethiohydrazido-κ2S,N)nickel(II), C14H16N6NiS4
- Crystal structure of 1-(4-((benzo[d][1,3]dioxol-5-yloxy)methyl)phenethyl)-4-(3-chlorophenyl) piperazin-1-ium chloride, C26H28Cl2N2O3
- Crystal structure of 2-(4-(2-(4-(2-fluorophenyl)piperazin-1-yl)ethyl)benzyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide, C26H26FN3O3S – a saccharin dervative
- Crystal structure of 3-(2-dimethylaminoethyl)-2,3-dihydro-2-thioxoquinazolin-4(1H)-one, C12H15N3OS
- Crystal structure of 3-(3-dimethylaminopropyl)-2,3-dihydro-2-thioxoquinazolin-4(1H)-one, C13H17N3OS
- The crystal structure of trans-tetraaqua-bis(p-tolylsulfinato-κO)calcium(II)), C14H22O8S2Ca
- The crystal structure of (E)-N′-(pyridin-2-ylmethylene)pyrazine-2-carbohydrazide, C11H9N5O
- Crystal structure of (E)-3-(pyren-1-yl)-1-(pyridin-4-yl)prop-2-en-1-one, C24H15NO
- Crystal structure of catena-poly[diaqua-(μ2-tartrato-κ4O,O′:O′′,O′′′)cobalt(II)], C4H8CoO8
- Crystal structure of 4-chloro-2-methyl-6-(4-(trifluoromethoxy)phenyl)pyrimidine, C12H8ClF3N2O
- Crystal structure of 1-(4-fluorophenyl)-N-(5-((triphenylstannyl)thio)thiophen-2-yl)methanimine, C27H20FN3S2Sn
- Crystal structure of methyl (Z)-2-(5-fluoro-2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate, C10H8FN3OS2
- Crystal structure of tert-butyl (Z)-4-(2-(5-methoxy-3-(2-((methylthio)carbonothioyl)hydrazono)-2-oxoindolin-1-yl)ethyl)piperazine-1-carboxylate, C22H31N5O4S2
- The crystal structure of (E)-2-((2-(o-tolylcarbamothioyl)hydrazono)methyl)benzoic acid, C16H15N3O2S
- Crystal structure of 2-chloro-1,3-di-tert-pentyl-4,4-diphenyl-1,3,2λ3,4-diazaphosphasiletidine, C22H32ClN2PSi
- Crystal structure of tetramethyl 5,5′-(buta-1,3-diyne-1,4-diyl)diisophthalate, C24H18O8
- Crystal structural of 2-amino-4-(4-methoxyphenyl)-3-cyano-7,7-dimethyl-5-oxo-4H-5,6,7,8-tetrahydrobenzo[b]pyran, C19H20N2O3
- Crystal structure of 1,3,5-tris((trimethylsilyl)methyl)-1,3,5-triazinane-2,4,6-trione, C15H33N3O3Si3
- The crystal structure of bis(2-benzoyl-5-hydroxylphenolato-κ2O,O′)copper(II), C26H18CuO6
- Crystal structure of 2,6-bis(3-(pyrazin-2-yl)-1H-1,2,4-triazol-5-yl)pyridine – 1-ethyl-3-methyl-1H-imidazol-3-ium bromide (1/1), C23H22N13Br
- The crystal structure of (E)-N-benzyl-N′-benzylidene-4-methylbenzenesulfonohydrazide, C21H20N2O2S
- Crystal structure of ethyl (E)-5-((2-(3-hydroxybenzoyl)hydrazono)methyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate – water – ethanol (1/1/1), C19H27N3O6
- The crystal structure of (E)-4-(3-ethoxy-2-hydroxybenzylideneamino)benzoic acid, C16H15NO4
- Crystal structure of (μ2-N,N′-bis((pyridin-4-yl)methyl)ethanediamide-κ2N:N′)-tetrakis(diethylcarbamodithioato-κ2S,S′)dizinc(II), C34H54N8O2S8Zn2