Abstract
C23H14I2N2, tetragonal, P41212, a = 11.86217(15) Å, b = 11.86217(15) Å, c = 13.9664(3) Å, V = 1965.23(7) Å3, Z = 4, Rgt(F) = 0.0387, wRref(F2) = 0.1035, T = 293 K.

Tables 1–3 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters.
Data collection and handling.
| Crystal: | Yellow, prismatic, size 0.20×0.24×0.30 mm |
| Wavelength: | Cu Kα radiation (1.54184 Å) |
| μ: | 252.03 cm−1 |
| Diffractometer, scan mode: | Bruker SMART, φ and ω scans |
| 2θmax: | 143.5° |
| N(hkl)measured, N(hkl)unique: | 3918, 1893 |
| Criterion for Iobs, N(hkl)gt: | Iobs > 2 σ(Iobs), 1815 |
| N(param)refined: | 123 |
| Programs: | SHELX [6] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
| Atom | Site | x | y | z | Uiso |
|---|---|---|---|---|---|
| H(9) | 8b | 0.8148 | 0.7250 | 0.8996 | 0.056 |
| H(12) | 8b | 1.1263 | 0.9515 | 0.8584 | 0.061 |
| H(11) | 8b | 1.1304 | 0.8070 | 0.9692 | 0.061 |
| H(8) | 8b | 0.8064 | 0.8758 | 0.7918 | 0.053 |
| H(2) | 8b | 1.0282 | 1.3103 | 0.9808 | 0.062 |
| H(1) | 8b | 0.8587 | 1.3925 | 0.9415 | 0.065 |
| H(3) | 8b | 1.0861 | 1.1463 | 0.9033 | 0.053 |
Fractional atomic coordinates and atomic displacement parameters (Å2).
| Atom | Site | x | y | z | U11 | U22 | U33 | U12 | U13 | U23 |
|---|---|---|---|---|---|---|---|---|---|---|
| I(1) | 8b | 0.97978(5) | 0.61916(3) | 1.04178(3) | 0.0922(4) | 0.0422(2) | 0.0582(3) | 0.0054(2) | 0.0111(2) | 0.0155(2) |
| C(10) | 8b | 0.9717(5) | 0.7511(4) | 0.9439(4) | 0.052(3) | 0.029(2) | 0.041(3) | 0.004(2) | 0.012(2) | 0.006(2) |
| C(9) | 8b | 0.8772(5) | 0.7716(5) | 0.8921(4) | 0.047(3) | 0.047(3) | 0.047(3) | −0.015(2) | 0.007(2) | 0.004(2) |
| C(12) | 8b | 1.0623(5) | 0.9075(5) | 0.8677(5) | 0.038(3) | 0.046(3) | 0.069(4) | −0.005(2) | −0.007(3) | 0.014(3) |
| C(11) | 8b | 1.0658(6) | 0.8199(6) | 0.9330(5) | 0.049(3) | 0.046(3) | 0.057(3) | 0.001(2) | −0.004(3) | 0.010(3) |
| C(4) | 8b | 0.9532(4) | 1.1422(4) | 0.8130(4) | 0.037(3) | 0.034(2) | 0.040(3) | −0.002(2) | 0.004(2) | 0.004(2) |
| C(7) | 8b | 0.9647(4) | 0.9312(4) | 0.8157(4) | 0.036(2) | 0.033(2) | 0.043(2) | 0.001(2) | 0.006(2) | 0.000(2) |
| C(8) | 8b | 0.8718(5) | 0.8625(5) | 0.8268(4) | 0.044(3) | 0.042(3) | 0.046(3) | −0.004(2) | 0.004(2) | 0.005(2) |
| C(6) | 4a | 0.9636(4) | 1.0364(4) | 0.7500 | 0.033(2) | 0.033(2) | 0.047(4) | −0.001(3) | 0.001(2) | 0.001(2) |
| C(5) | 8b | 0.8557(4) | 1.2018(4) | 0.7911(4) | 0.036(2) | 0.036(2) | 0.045(2) | −0.002(2) | 0.004(2) | 0.005(2) |
| C(2) | 8b | 0.9842(6) | 1.2792(5) | 0.9324(5) | 0.054(3) | 0.052(3) | 0.050(3) | −0.017(3) | 0.001(3) | −0.003(2) |
| C(1) | 8b | 0.8827(6) | 1.3301(6) | 0.9067(5) | 0.058(4) | 0.043(3) | 0.062(4) | −0.005(3) | 0.016(3) | −0.008(3) |
| C(3) | 8b | 1.0197(5) | 1.1826(5) | 0.8859(4) | 0.042(3) | 0.045(3) | 0.044(3) | −0.004(2) | 0.002(2) | 0.002(2) |
| N(1) | 8b | 0.8182(5) | 1.2939(4) | 0.8348(4) | 0.051(3) | 0.038(2) | 0.057(3) | −0.001(2) | 0.003(2) | −0.002(2) |
Source of material
The title compound was synthesized through three steps as followed. Firstly, 4,5-diaza-9-fluorenone was easily synthesized according to the reference [1, 2]. Secondly, according to the reference [3], 4,5-diaza-9,9-bis(4-aminophenyl) was easily synthesized from the reaction of aniline hydrochloride (4.0 g, 30.9 mmol), aniline (8.0 g, 85.9 mmol) and 4,5-diaza-fluorenone (2.0 g, 11.0 mmol) under a dry nitrogen atmosphere for 7 h. Through the treatment of 10 wt% hot potassium hydroxide solution, a yellow solid was obtained with a yield of 54% (2.1 g). Finally, according to the reference [4], 4,5-diaza-9,9-bis(4-aminophenyl)fluorene (0.7 g, 2.0 mmol) was processed by concentrated hydrochloric acid (5 mL, 0.06 mol), which was added to a mixture of phosphoric acid (7 mL, 0.11 mol), sodium nitrite (0.274 g, 4.0 mol) and concentrated sulfuric acid (3 mL, 0.054 mol) and stirred at 268 K for 1 h. It was then poured into a solution of urea (0.3 g, 5.0 mmol) and potassium iodide (0.664 g, 4.0 mmol) in water (50 mL), and the reaction system was heated with stirring to 353 K. A precipitate was formed by adding 40 mL water, which was then dissolved in ethanol. After the insolubles were filtered off, the remaining liquid was poured into water, giving a white solid. The pure title product was produced in 50% yield by recrystallization from anhydrous ethanol.
Experimental details
All hydrogen atoms were positioned geometrically and refined using a riding model, with C—H = 0.93 Å and with Uiso(H) = 1.2 times Uiso(C,N). The Flack parameter refined to 0.00(1) [6].
Discussion
One of the biggest barriers of europium complexes' application to electroluminescent emission materials is caused by relatively low carrier mobility (especially the electron mobility) [5], just equal to 0.01–0.1% of the traditional LED in organic material [2]. The title compound has been obtained during a search for appropriate ligands with better optical properties. As shown in the Figure, the typical structural characteristic of the title compound is the sp3 hybridized carbon as the center which acts as a bridge link the fluorene plane and the two iodophenyl groups. The fluorenyl ring is flat with an average deviation of 0.022 Å. The dihedral angle between the iodophenyl ring and fluorene ring is 68.8°. Due to the rigid backbone the six angles around the sp3 hybridized carbon are all within the range of 99.78°–114.52°. The twisted molecular structure of the compound may result in a decreased interaction between iodo substituent and diaza-fluorene ring, thereby increasing the molecular triplet energy level. At the same time, no significant π−π stacking interactions are observed due to the presence of iodine substituent group. The decrease in intermolecular forces is conducive for deposition of the compound in a vacuum, thereby enabling to form an amorphous film and prevent the film from crystallization and ultimately help to improve the performance of OLED.
Acknowledgements:
The author would like to thank the Key Scientific Research Project of Colleges and Universities of Henan Province (No. 15A150061) for financial support.
References
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©2016 Guo-jie Yin, published by De Gruyter.
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.
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- Crystal structure of 9-allyl-4,5-dichloro-12-cyano-9,10-dihydro-9,10-ethanoanthracen-12-yl acetate, C22H17Cl2NO2
- Crystal structure of 4-bromo-2-(8-(3-ethoxy-2-hydroxyphenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)phenol, C18H19BrN2O5
- Crystal structure of 3-tert-butyl-3-hydroxy-1,3-dihydro-2H-pyrrolo[3,2-c]pyridin-2-one, C11H14N2O2
- Crystal structure of diaquabis(3-(3,5-dibromophenyl)-5-(pyridin-2-yl)-1,2,4-triazol-4-ido-κ2N,N′)nickel(II) mono hydrate, C26H20Br4N8NiO3
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- Crystal structure of 2-ethyl-1-tert-butyl-2-((4-fluorophenyl)(tert-butoxycarbonylamino)methyl)-3-oxo-pyrrolidine-1,2-dicarboxylate, C24H33FN2O7
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- Crystal structure of bis(guanidinium) 3,3′-oxybis(6-carboxybenzoate), C18H20N6O9
- Crystal structure of N′-(4-methoxybenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide, C18H16N4O2
- Crystal structure of N′-(4-nitrobenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide, C17H13N5O3
- Crystal structure of 5-((4-bromophenyl)(2-hydroxy-6-oxocyclohex-1-en-1-yl)methyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, C19H19BrN2O5
- Crystal structure of 3-(((cyclohexyl(phenyl)methylidene)amino)oxy)-2-hydroxy-N-(propan-2-yl)propan-1-aminium chloride, C19H31ClN2O2
- Crystal structure of 6-hydroxy-5-((2-hydroxy-6-oxocyclohex-1-en-1-yl)(phenyl)methyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, C19H20N2O5
- Crystal structure of 2-(4-(4-bromophenyl)thiazol-2-yl)isoindoline-1,3-dione, C17H9BrN2O2S
- Crystal structure of 2-(4-methylbenzoyl)pyrene, C24H16O
- Crystal structure of N-(5-bromo-4-(p-tolyl)thiazol-2-yl)-4-chlorobutanamide, C14H14BrClN2OS
- Crystal structure of 4,5-diphenylthiazol-2-amine, C15H12N2S
- Crystal structure of poly[bis(μ2-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato-κ3N:O,O′)-lead(II)], C28H18O4N8Pb
- Crystal structure of (Z)-4-(4-oxopent-2-en-2-ylamino)benzenesulfonamide, C11H14N2O3S
- Crystal structure of poly[(μ2-2-methyl-1-(4-(2-methyl-2H-benzo[d] imidazol-1(7aH)-yl)butyl)-1H-benzo[d]imidazole-κ2N:N′)bis(μ3-5-tert-butylbenzene-1,3-dicarboxylato-κ4O:O,O′:O′′,O′′′)dicadmium(II)] tetrahydrate, C44H54Cd2N4O12
- Crystal structure of catena-poly-[aqua(μ2-4,4′-bipyridine-κ2N:N′)bis(3′,5,5′-tricarboxybiphenyl-2-carboxylato-κ2O,O′)cadmium(II)], C42H28N2O17Cd
- Crystal structure of (2RS,3RS)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol, C15H20ClN3O
- Crystal structure of N′-(4-(dimethylamino)benzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide, C19H19N5O
- Crystal structure of 3-(benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1Hpyrazole-1-carbothioamide, C18H14FN3OS
- Crystal structure of ent-1β-acetoxy-7α,14α-di-hydroxy-7β,20-epoxykaur-16-en-15-one, C22H30O6
- Crystal structure of 1α,7β-dihydroxy-11β-acetoxy-ent-7β,20-epoxykaur-16-en-15-one, C22H30O6
- Crystal structure of 7β,14β,15β-trihydroxy-1α-acetoxy-7α,20-epoxy-ent-kaurane, C22H32O6
- Crystal structure of ent-1β,7α,11α-trihydroxy-7β,20-epoxykaur-16-en-15-one, C20H28O5
- Crystal structure of poly-[tetraaquabis(μ8-benzene-1,2,4,5-tetracarboxylato-1κ3O4:O6:O8:2κ4O2:O2:O5:O5:3κ4O1:O3:O5:O7)(di-μ3-hydroxido)-pentazinc(II)] decahydrate, C20H34O32Zn5
- Crystal structure of 1-(4-methylthiazol-2-yl)-3-propylthiourea, C8H13N3S2
- Crystal structure of 2-((dimethylamino)methylene)-5,5-Dimethylcyclohexane-1,3-dione, C11H17NO2
- Crystal structure of poly[1,4-bis(2-methylbenzimidazol)butane-κ2N:N′)bis(4,4′-oxybis(benzoato-κ4O,O′:O′′,O′′′)dicadmium] monohydrate, C48H38Cd2N4O10
- Crystal structure of 2-(3-(benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-(4-chlorophenyl)thiazole, C26H17ClFN3OS
- Crystal structure of bis(μ3-isophthalato-κ3O:O′:O′′)(μ2-1,4-\ bis((2-propyl-1H-benzo[d]imidazol-1-yl)methyl)benzene-κ2N:N′)dizinc(II), C22H19N2O4Zn
- Crystal structure of poly[bis(adipate-κ4O,O′:O′′, O′′′)(1,4-bis(2-methyl-1H-benzo[d]imidazol-1-yl)benzene-κ2N:N′)dizinc(II), C36H38N4O8Zn2
- Crystal structure of N-(2-(2-oxoindolin-4-yl)ethyl)-N-propylpropan-1-aminium tetraphenylborate, C40H45BN2O
- Crystal structure of 1-(2,3-dihydro-4-methyl-3-phenyl-2-thioxothiazol-5-yl)-1-ethanone, C12H11NOS2
- Crystal structure of 3-(adamantan-1-yl)-1-[(4-benzylpiperazin-1-yl)methyl]-4-[(E)-(2,6-difluorobenzylidene)amino]-1H-1,2,4-triazole-5(4H)-thione, C31H36F2N6S
- Crystal structure of 6-(4-chlorophenyl)-3-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazole, C13H7ClN4S2
- Crystal structure of bis(ethanaminium) poly[bis(hexaselenido-κ2Se1,Se6)palladate(II)], C4H16N2PdSe12
- Crystal structure of 2-(3-(benzofuran-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-phenylthiazole, C26H19N3OS
- Crystal structure of poly-[bis(μ3-5-hydroxyisophtalato-κ3O:O′:O′′)(μ2-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ2N:N′)dizinc(II)], C40H30N4O5Zn2
- Crystal structure of poly-[(μ-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ2N:N′)-bis(μ4-2,2′-(1,3-phenylene)diacetate-κ4O:O′:O′′:O′′′)dizinc(II)], C44H38N4O8Zn2
- Crystal structure of 5,17-bis-cyano-25,26,27,28-tetrapropyloxy-calix[4]arene, C42H46N2O4
- Crystal structure of poly-[μ-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ2N:N′)-bis(μ3-5-hydroxyisophthalate(2–)-κ3O,O′:O′′)dicadmium(II)] monohydrate, C64H54N8O11Cd2
- Crystal structure of poly-[μ-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ2N:N′)-bis(μ4-4,4′-sulfonyldibenzoato-κ4O:O′:O′′:O′′′)dicadmium(II)] monohydrate, C52H42N4O14Cd2
- Crystal structure of poly-[bis(μ4-adipato-κ4O:O′:O′′:O′′′)(μ2-1,4-bis((2-ethyl-1H-benzo[d]imidazol-1-yl)methyl)benzene-κ2N:N′)dizinc(II)], C38H42N4O8Zn2
- Crystal structure of (2-(2-chlorophenyl)-5-methyl-1,3-dioxan-5-yl)methanol, C12H15ClO3
- Crystal structure of 2-(4-Bromophenyl)-5-ethyl-1,3-dioxane-5-carboxylic acid, C13H15BrO4
- Crystal structure of (2-(4-bromophenyl)-5-ethyl-1,3-dioxan-5-yl)methanol, C13H17BrO3
- Crystal structure of 3-((1,3,5,7-tetraoxo-6-(pyridin-3-ylmethyl)-3,3a,4,4a,5,6,7,7a,8,8a-decahydro-4,8-ethenopyrrolo[3,4-f]isoindol-2(1H)-yl)methyl)pyridin-1-ium-κN-trichloridocobalt(II) hemihydrate, C24H22Cl3CoN4O4.5
- Crystal structure of 4-chloro-4′,6′-dichloro-2,2′-[propane-1,3-diyldioxybis(nitrilomethylidyne)]-diphenol, C17H14Cl3N2O4
- Crystal structure of 2-amino-4-(3-trifluoromethylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C17H13F3N2O2
- Crystal structure of bis(benzoato-κO)bis(4,4′-((1H-1,2,4-triazol-1-yl)methylene)dibenzonitrile-κN)zinc(II), C48H32N10O4Zn
- Crystal structure of 3-methyl-2H-chromen-2-one, C10H8O2
- Crystal structure of catena-poly-[aqua-(2-carboxy-5-(3-carboxy-5-carboxylatophenoxy)benzoato-κO)(μ2-4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl-κ2N:N′)cobalt(II)], C34H24N4O10Co
- Crystal structure of 4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl, C36H28N8
- Crystal structure of 1-(3-chloropropyl)piperidin-1-ium tetraphenylborate, C32H37BClN
- Crystal structure of dimethyl 5-(benzylamino)isophthalate, C17H17NO4
- Crystal structure of dimethyl 5-(dibenzylamino)isophthalate, C24H23NO4
- Crystal structure of N-(adamantan-1-yl)-4-phenylpiperazine-1-carbothioamide, C21H29N3S
- Crystal structure of (2,2′(cyclohexane-1,2-diylbis(nitrilo(E)methylylidene))diphenolato-κ4O,O′,N,N′)dimethanolmanganese(III) bromide, C22H28BrMnN2O4
- Crystal structure of 3,5,7-tris(morpholinomethyl)tropolone·0.67 hydrate, C22H33N3O5·0.67H2O
- Crystal structure of biphenyl-2,3′,5,5′-tetracarboxylic acid – 4,4′-biphenyl-4,4′-diyldipyridine (3/2), C49H34N3O8
Articles in the same Issue
- Frontmatter
- Crystal structure of poly[aqua(μ2-2,5-bis(4-pyridyl)-1,3,4-oxadiazole-κ2N,N)(μ2-1,3-phenylenediacetato-κ3O,O′:O′′)cobalt(II)], C22H18CoN4O6
- Crystal structure of 2-amino-7,7-dimethyl-5-oxo-4-(3-phenoxy-phenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
- Crystal structure of (E)-4,4′-(diazene-1,2-diyl)bis(1-nitro-1H-1,2,4-triazol-5(4H)-one)—acetonitrile (1:1), C6H5N11O6
- Crystal structure of potassium (E)-5-oxo-4-((5-oxo-1H-1,2,4-triazol-4(5H)-yl)diazenyl)-4,5-dihydro-1,2,4-triazol-1-ide – (E)-4,4-diazene-1,2-diylbis(2,4-dihydro-3H-1,2,4-triazol-3-one) – methanol (1/1/1), C9H11N16KO5
- Crystal structure of (N,N′-bis(2-(((2,6-diisopropylphenyl)imino)methyl)phenyl)benzene-1,2-diamido-κ4O,O′,O′′,O′′′)oxidovanadium(IV), C44H48N4OV
- Crystal structure of 5,5-bis(4-iodophenyl)-5H-cyclopenta[2,1-b:3,4-b′]dipyridine, C23H14I2N2
- Crystal structure of aquadichloridobis(1-((2-methyl-1H-imidazol-1-yl)methyl)-1H-benotriazole-κN)mercury(II), C22H24Cl2HgN10O
- Crystal structure of 2-[4-(1H-imidazol-1-yl)phenyl]-1H-benzimidazol-3-ium [2-(carboxymethyl)phenyl]acetate monohydrate, C26H24N4O5
- Crystal structure of 4,4′-bipiperidinium dichloride 0.12 hydrate, C10H22N2Cl2 · 0.12 H2O
- Crystal structure of catena-poly[tetraaqua(μ2-4,4′(E)-ethene-1,2-diyldipyridine-κ2N:N′)nickel(II)] bis(6-methyl-2-oxo-1,2-dihydro-pyridine-4-carboxylate) pentahydrate, C26H42N4O15Ni
- Crystal structure of ethyl-5-amino-1-(2,4-dinitrophenyl)-1H-pyrazole-4-carboxylate, C12H11N5O6
- Crystal structure of dicarbonyl(pyridin-2-olate-1-oxido-κ2O,O′)rhodium(I), C7H4NO4Rh
- Crystal structure of 1-(adamantan-1-yl)-3-(4-chlorophenyl)thiourea, C17H21ClN2S
- Crystal structure of 2-((2-chloropyridin-3-ylamino)methylene)malononitrile, C9H5ClN4
- Crystal structure of tetraaquabis(μ2-4-chlorobenzoato-κ2O:O,O′)bis(4-chlorobenzoato-κO)bis(1,10-phenanthroline-κ2N,N′)distrontium(II), C52H40Cl4N4O12Sr2
- Crystal structure of 3-hydroxy-3-phenyl-1,3-dihydro-2H-indol-2-one, C14H11NO2
- Crystal structures of bis(1,10-phenanthrolin-1-ium) aquapentakis(nitrato-κ2O,O′)neodym(III) monohydrate, C24H22N9NdO17
- Crystal structure of 2-ethyl-1-tert-butyl 3-oxo-2-[phenyl(tert-butoxycarbonylamino)methyl]-1,2-pyrrolidinedicarboxylate, C24H34N2O7
- Crystal structure of poly[diaquabis(μ4-benzene-1,3,5-tricarboxylato-κO1,κO2:κO3,κO4:κO5:κO6)-bis(μ2-4,4′-benzene-1,3-diylbis(4H-1,2,4-triazole-κ2N:N′)tricadmium(II)] tetrahydrate, C38H34Cd3N12O18
- Crystal structure of trans-dichlorido[1,3-bis(9-methyl-9H-fluoren-9-yl) benzimidazol-2-ylidene](pyridine)palladium(II) – a compound with anagostic CH–Pd interactions, C40H31Cl2N3Pd
- Crystal structure of catena-poly[(μ3-5-(4-(tetrazol-1-id-5-yl)phenoxy)benzene-1,3-dicarboxyato-κ3O:O′:N)(4-(3-(pyridin-4-yl)propyl)pyridinium-κN)zinc(II)], C28H22ZnN6O5
- Crystal structure of 3,6-di-2-pyridinyl-4-pyridazine carbonitrile, C15H9N5
- Crystal structure of 5,5,9,13-tetramethyltetracyclo[10·2·1·01,10·04,9]pentadecane-3,7,14-triol, C20H34O4
- Crystal structure of 2-amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C16H12N2O3
- Crystal structure of the poly[(1,10-phenanthroline-κ2N,N′)(μ3-carboxylatophenoxyacetato-κ4O,O′:O′′;O′′′)lead(II)] monohydrate, C21H16N2O6Pb
- Crystal structure of the poly[(μ4-biphenyl-4,4′-dicarboxylato-κ4O:O′:O′′:O′′′) bis(μ3-8-(11-(oxysulfonyl)-4-silbenyl)-2-(oxysulfonyl)stilbene-κ4O:O′:O′′,O′′′) bis(1,10-phenanthroline-k2N,N′) dipraseodymium(III)], C94H64N4O16Pr2S4
- Crystal structure of 3-iodo-5-methoxy-7-(methoxymethoxy)-4-(3-methoxyphenoxy)-2H-chromen-2-one, C19H17IO7
- Crystal structure of poly[(5-carboxy-2,6-dimethylpyridinium-3-carboxylato-κO)tris(μ2-2,6-dimethylpyridinium-3,5-dicarboxylato-κ3O,O′:O′′)erbium(III)], C36H33ErN4O16
- This molecule targets at type 2 diabetes - a single crystal study on (2R,3S,5R)-2-(2,5-difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl] tetrahydro-2H-pyran-3-amine (Omarigliptin), C17H20F2N4O3S
- Crystal structure of poly[(μ2-2,2′-benzene-1,2-diyldiacetato-κ2O:O′), (μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole-κ2N:N′)zinc(II)], C22H19N5O4Zn
- Crystal structure of tetraaqua(μ2-3-(3,5-dicarboxyphenoxy)benzene-1,2-dicarboxylato-κ2O:O′)manganese(II) dihydrate, C16H20O15Mn
- Crystal structure of 4,4′-sulfonyldipyridine, C10H8N2O2S
- Crystal structure of 4-[(E)-(2-chloro-6-fluorobenzylidene)amino]-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one, C18H15ClFN3O
- Crystal structure of carbonyl(2-oxopyridin-1(2H)-olato-κ2O, O′)(triphenylphosphine-κP)rhodium(I), C24H19NO3PRh
- Crystal structure of diaquabis(2-(3-bromophenyl)-5-carboxy-1H-imidazol-4-carboxylato-κ2O,N) cobalt(II) trihydrate, C22H22Br2CoN4O13
- Crystal structure of 4-(pyridin-4-ylmethylsulfonyl)pyridine, C11H10N2O2S
- Crystal structure of poly[(μ4-1-methyl-1H-tetrazole-5-thiolato-κ3S:S:N:N′)copper(I)], C2H3CuN4S
- Crystal structure of poly[diaquabis(μ2-4,4′-sulfinyldipyridine-κ2N,N′)zinc(II)] diperchlorate dihydrate, C20H24N4O14S2Cl2Zn
- Crystal structure of (1-((1-benzylpyrrolidin-2-yl-κN)methyl)-3-isopropyl-1H-imidazol-2(3H)-ylidene–κC)dibromidopalladium(II), C18H25Br2N3Pd
- Crystal structure of pentacalcium tetranitridovanadate(V) mononitride based on a powder diffraction study, Ca5[VN4]N
- Crystal structure of ((1-((1-benzylpyrrolidin-2-yl)methyl)-3-ethyl-1H-imidazol-2(3H)-ylidene)-κ2C,N)dichloridopalladium(II), C17H23Cl2N3Pd
- Crystal structure of 9-allyl-4,5-dichloro-12-cyano-9,10-dihydro-9,10-ethanoanthracen-12-yl acetate, C22H17Cl2NO2
- Crystal structure of 4-bromo-2-(8-(3-ethoxy-2-hydroxyphenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)phenol, C18H19BrN2O5
- Crystal structure of 3-tert-butyl-3-hydroxy-1,3-dihydro-2H-pyrrolo[3,2-c]pyridin-2-one, C11H14N2O2
- Crystal structure of diaquabis(3-(3,5-dibromophenyl)-5-(pyridin-2-yl)-1,2,4-triazol-4-ido-κ2N,N′)nickel(II) mono hydrate, C26H20Br4N8NiO3
- Crystal structure of 5-(adamantan-1-yl)-3-[(2-trifluoromethylanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, C20H22F3N3OS
- Crystal structure of 2-ethyl-1-tert-butyl-2-((4-fluorophenyl)(tert-butoxycarbonylamino)methyl)-3-oxo-pyrrolidine-1,2-dicarboxylate, C24H33FN2O7
- Crystal structure of bis(μ2-2-fluorobenzoato-κ2O:O:O′) bis(μ2-2-fluorobenzoato-κ2O:O′)dinitrato-κ2O,O′ bis(1,10-phenathroline-κ2N,N′)diterbium(III), C52H32F4N6O14Tb2
- Crystal structure of tetrabutylammonium 4-aminobenzenesulfonate 2/3 hydrate, C22H42N2O3S · 2/3 H2O
- Crystal structure of tetraethylammonium 4-aminobenzenesulfonate, C14H26N2O3S
- Crystal structure of bis(guanidinium) 3,3′-oxybis(6-carboxybenzoate), C18H20N6O9
- Crystal structure of N′-(4-methoxybenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide, C18H16N4O2
- Crystal structure of N′-(4-nitrobenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide, C17H13N5O3
- Crystal structure of 5-((4-bromophenyl)(2-hydroxy-6-oxocyclohex-1-en-1-yl)methyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, C19H19BrN2O5
- Crystal structure of 3-(((cyclohexyl(phenyl)methylidene)amino)oxy)-2-hydroxy-N-(propan-2-yl)propan-1-aminium chloride, C19H31ClN2O2
- Crystal structure of 6-hydroxy-5-((2-hydroxy-6-oxocyclohex-1-en-1-yl)(phenyl)methyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, C19H20N2O5
- Crystal structure of 2-(4-(4-bromophenyl)thiazol-2-yl)isoindoline-1,3-dione, C17H9BrN2O2S
- Crystal structure of 2-(4-methylbenzoyl)pyrene, C24H16O
- Crystal structure of N-(5-bromo-4-(p-tolyl)thiazol-2-yl)-4-chlorobutanamide, C14H14BrClN2OS
- Crystal structure of 4,5-diphenylthiazol-2-amine, C15H12N2S
- Crystal structure of poly[bis(μ2-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato-κ3N:O,O′)-lead(II)], C28H18O4N8Pb
- Crystal structure of (Z)-4-(4-oxopent-2-en-2-ylamino)benzenesulfonamide, C11H14N2O3S
- Crystal structure of poly[(μ2-2-methyl-1-(4-(2-methyl-2H-benzo[d] imidazol-1(7aH)-yl)butyl)-1H-benzo[d]imidazole-κ2N:N′)bis(μ3-5-tert-butylbenzene-1,3-dicarboxylato-κ4O:O,O′:O′′,O′′′)dicadmium(II)] tetrahydrate, C44H54Cd2N4O12
- Crystal structure of catena-poly-[aqua(μ2-4,4′-bipyridine-κ2N:N′)bis(3′,5,5′-tricarboxybiphenyl-2-carboxylato-κ2O,O′)cadmium(II)], C42H28N2O17Cd
- Crystal structure of (2RS,3RS)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol, C15H20ClN3O
- Crystal structure of N′-(4-(dimethylamino)benzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide, C19H19N5O
- Crystal structure of 3-(benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1Hpyrazole-1-carbothioamide, C18H14FN3OS
- Crystal structure of ent-1β-acetoxy-7α,14α-di-hydroxy-7β,20-epoxykaur-16-en-15-one, C22H30O6
- Crystal structure of 1α,7β-dihydroxy-11β-acetoxy-ent-7β,20-epoxykaur-16-en-15-one, C22H30O6
- Crystal structure of 7β,14β,15β-trihydroxy-1α-acetoxy-7α,20-epoxy-ent-kaurane, C22H32O6
- Crystal structure of ent-1β,7α,11α-trihydroxy-7β,20-epoxykaur-16-en-15-one, C20H28O5
- Crystal structure of poly-[tetraaquabis(μ8-benzene-1,2,4,5-tetracarboxylato-1κ3O4:O6:O8:2κ4O2:O2:O5:O5:3κ4O1:O3:O5:O7)(di-μ3-hydroxido)-pentazinc(II)] decahydrate, C20H34O32Zn5
- Crystal structure of 1-(4-methylthiazol-2-yl)-3-propylthiourea, C8H13N3S2
- Crystal structure of 2-((dimethylamino)methylene)-5,5-Dimethylcyclohexane-1,3-dione, C11H17NO2
- Crystal structure of poly[1,4-bis(2-methylbenzimidazol)butane-κ2N:N′)bis(4,4′-oxybis(benzoato-κ4O,O′:O′′,O′′′)dicadmium] monohydrate, C48H38Cd2N4O10
- Crystal structure of 2-(3-(benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-(4-chlorophenyl)thiazole, C26H17ClFN3OS
- Crystal structure of bis(μ3-isophthalato-κ3O:O′:O′′)(μ2-1,4-\ bis((2-propyl-1H-benzo[d]imidazol-1-yl)methyl)benzene-κ2N:N′)dizinc(II), C22H19N2O4Zn
- Crystal structure of poly[bis(adipate-κ4O,O′:O′′, O′′′)(1,4-bis(2-methyl-1H-benzo[d]imidazol-1-yl)benzene-κ2N:N′)dizinc(II), C36H38N4O8Zn2
- Crystal structure of N-(2-(2-oxoindolin-4-yl)ethyl)-N-propylpropan-1-aminium tetraphenylborate, C40H45BN2O
- Crystal structure of 1-(2,3-dihydro-4-methyl-3-phenyl-2-thioxothiazol-5-yl)-1-ethanone, C12H11NOS2
- Crystal structure of 3-(adamantan-1-yl)-1-[(4-benzylpiperazin-1-yl)methyl]-4-[(E)-(2,6-difluorobenzylidene)amino]-1H-1,2,4-triazole-5(4H)-thione, C31H36F2N6S
- Crystal structure of 6-(4-chlorophenyl)-3-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazole, C13H7ClN4S2
- Crystal structure of bis(ethanaminium) poly[bis(hexaselenido-κ2Se1,Se6)palladate(II)], C4H16N2PdSe12
- Crystal structure of 2-(3-(benzofuran-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-phenylthiazole, C26H19N3OS
- Crystal structure of poly-[bis(μ3-5-hydroxyisophtalato-κ3O:O′:O′′)(μ2-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ2N:N′)dizinc(II)], C40H30N4O5Zn2
- Crystal structure of poly-[(μ-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ2N:N′)-bis(μ4-2,2′-(1,3-phenylene)diacetate-κ4O:O′:O′′:O′′′)dizinc(II)], C44H38N4O8Zn2
- Crystal structure of 5,17-bis-cyano-25,26,27,28-tetrapropyloxy-calix[4]arene, C42H46N2O4
- Crystal structure of poly-[μ-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ2N:N′)-bis(μ3-5-hydroxyisophthalate(2–)-κ3O,O′:O′′)dicadmium(II)] monohydrate, C64H54N8O11Cd2
- Crystal structure of poly-[μ-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ2N:N′)-bis(μ4-4,4′-sulfonyldibenzoato-κ4O:O′:O′′:O′′′)dicadmium(II)] monohydrate, C52H42N4O14Cd2
- Crystal structure of poly-[bis(μ4-adipato-κ4O:O′:O′′:O′′′)(μ2-1,4-bis((2-ethyl-1H-benzo[d]imidazol-1-yl)methyl)benzene-κ2N:N′)dizinc(II)], C38H42N4O8Zn2
- Crystal structure of (2-(2-chlorophenyl)-5-methyl-1,3-dioxan-5-yl)methanol, C12H15ClO3
- Crystal structure of 2-(4-Bromophenyl)-5-ethyl-1,3-dioxane-5-carboxylic acid, C13H15BrO4
- Crystal structure of (2-(4-bromophenyl)-5-ethyl-1,3-dioxan-5-yl)methanol, C13H17BrO3
- Crystal structure of 3-((1,3,5,7-tetraoxo-6-(pyridin-3-ylmethyl)-3,3a,4,4a,5,6,7,7a,8,8a-decahydro-4,8-ethenopyrrolo[3,4-f]isoindol-2(1H)-yl)methyl)pyridin-1-ium-κN-trichloridocobalt(II) hemihydrate, C24H22Cl3CoN4O4.5
- Crystal structure of 4-chloro-4′,6′-dichloro-2,2′-[propane-1,3-diyldioxybis(nitrilomethylidyne)]-diphenol, C17H14Cl3N2O4
- Crystal structure of 2-amino-4-(3-trifluoromethylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C17H13F3N2O2
- Crystal structure of bis(benzoato-κO)bis(4,4′-((1H-1,2,4-triazol-1-yl)methylene)dibenzonitrile-κN)zinc(II), C48H32N10O4Zn
- Crystal structure of 3-methyl-2H-chromen-2-one, C10H8O2
- Crystal structure of catena-poly-[aqua-(2-carboxy-5-(3-carboxy-5-carboxylatophenoxy)benzoato-κO)(μ2-4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl-κ2N:N′)cobalt(II)], C34H24N4O10Co
- Crystal structure of 4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl, C36H28N8
- Crystal structure of 1-(3-chloropropyl)piperidin-1-ium tetraphenylborate, C32H37BClN
- Crystal structure of dimethyl 5-(benzylamino)isophthalate, C17H17NO4
- Crystal structure of dimethyl 5-(dibenzylamino)isophthalate, C24H23NO4
- Crystal structure of N-(adamantan-1-yl)-4-phenylpiperazine-1-carbothioamide, C21H29N3S
- Crystal structure of (2,2′(cyclohexane-1,2-diylbis(nitrilo(E)methylylidene))diphenolato-κ4O,O′,N,N′)dimethanolmanganese(III) bromide, C22H28BrMnN2O4
- Crystal structure of 3,5,7-tris(morpholinomethyl)tropolone·0.67 hydrate, C22H33N3O5·0.67H2O
- Crystal structure of biphenyl-2,3′,5,5′-tetracarboxylic acid – 4,4′-biphenyl-4,4′-diyldipyridine (3/2), C49H34N3O8