Abstract
C40H45BN2O, monoclinic, P21/c (No. 14), a = 14.4148(6) Å, b = 16.7684(7) Å, c = 13.7178(5), β = 102.791(1)°, V = 3233.5(2) Å3, Z = 4, Rgt(F) = 0.0424, wRref(F2) = 0.1128, T = 100 K.

The asymmetric unit of the title crystal structure is shown in the figure. Tables 1 and 2 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters.
Data collection and handling.
| Crystal: | Colourless blocks size 0.57×0.25×0.23 mm |
| Wavelength: | Mo Kα radiation (0.71073 Å) |
| μ | 0.7 cm−1 |
| Diffractometer, scan mode: | Bruker ApexII, φ and ω scans |
| 2θmax, completeness: | 49.994°, >99 % |
| N(hkl)measured, N(hkl)unique, Rint: | 31822, 5679, 0.0602 |
| Criterion for Iobs, N(hkl)gt: | Iobs > 2 σ(Iobs), 4344 |
| N(param)refined: | 407 |
| Programs: | SHELX [11], Bruker programs [12] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
| Atom | x | y | z | Uiso*/Ueq |
|---|---|---|---|---|
| B1 | 0.75591(13) | 0.49037(12) | 0.72637(14) | 0.0172(4) |
| O1 | 0.64976(8) | 0.40570(7) | 0.28578(8) | 0.0226(3) |
| N1 | 0.77405(9) | 0.05203(8) | 0.67722(10) | 0.0178(3) |
| N2 | 0.52943(10) | 0.36155(9) | 0.35663(10) | 0.0181(3) |
| C1 | 0.77478(13) | −0.17446(11) | 0.63361(14) | 0.0278(4) |
| H1A | 0.7816 | −0.2081 | 0.5772 | 0.042* |
| H1B | 0.7143 | −0.1865 | 0.6518 | 0.042* |
| H1C | 0.8274 | −0.1850 | 0.6909 | 0.042* |
| C2 | 0.77641(16) | −0.08713(11) | 0.60396(15) | 0.0362(5) |
| H2A | 0.8396 | −0.0735 | 0.5915 | 0.043* |
| H2B | 0.7280 | −0.0775 | 0.5417 | 0.043* |
| C3 | 0.75607(12) | −0.03578(10) | 0.68633(13) | 0.0208(4) |
| H3A | 0.7955 | −0.0549 | 0.7506 | 0.025* |
| H3B | 0.6886 | −0.0432 | 0.6892 | 0.025* |
| C4 | 0.87633(11) | 0.07283(11) | 0.68335(13) | 0.0240(4) |
| H4A | 0.8826 | 0.1316 | 0.6815 | 0.029* |
| H4B | 0.8960 | 0.0508 | 0.6241 | 0.029* |
| C5 | 0.94260(12) | 0.04132(12) | 0.77689(13) | 0.0294(4) |
| H5A | 1.0080 | 0.0595 | 0.7775 | 0.035* |
| H5B | 0.9425 | −0.0177 | 0.7741 | 0.035* |
| C6 | 0.91705(14) | 0.06715(12) | 0.87365(14) | 0.0353(5) |
| H6A | 0.9685 | 0.0523 | 0.9303 | 0.053* |
| H6B | 0.8580 | 0.0407 | 0.8801 | 0.053* |
| H6C | 0.9081 | 0.1251 | 0.8731 | 0.053* |
| C7 | 0.70886(12) | 0.08930(10) | 0.58817(12) | 0.0201(4) |
| H7A | 0.6434 | 0.0689 | 0.5826 | 0.024* |
| H7B | 0.7297 | 0.0741 | 0.5266 | 0.024* |
| C8 | 0.70888(11) | 0.18043(10) | 0.59741(13) | 0.0212(4) |
| H8A | 0.7246 | 0.1953 | 0.6690 | 0.025* |
| H8B | 0.7588 | 0.2028 | 0.5661 | 0.025* |
| C9 | 0.61391(11) | 0.21658(10) | 0.54826(12) | 0.0183(4) |
| C10 | 0.53076(11) | 0.19616(10) | 0.57997(12) | 0.0202(4) |
| H10A | 0.5340 | 0.1575 | 0.6313 | 0.024* |
| C11 | 0.44415(11) | 0.23133(10) | 0.53774(12) | 0.0204(4) |
| H11A | 0.3892 | 0.2162 | 0.5607 | 0.024* |
| C12 | 0.43590(11) | 0.28817(10) | 0.46253(12) | 0.0178(4) |
| H12A | 0.3767 | 0.3126 | 0.4338 | 0.021* |
| C13 | 0.51779(11) | 0.30720(9) | 0.43169(11) | 0.0166(4) |
| C14 | 0.60579(11) | 0.27268(10) | 0.47293(12) | 0.0163(4) |
| C15 | 0.67863(11) | 0.30712(10) | 0.42169(12) | 0.0194(4) |
| H15A | 0.7081 | 0.2650 | 0.3879 | 0.023* |
| H15B | 0.7291 | 0.3356 | 0.4697 | 0.023* |
| C16 | 0.62077(11) | 0.36404(10) | 0.34682(12) | 0.0180(4) |
| C17 | 0.93567(12) | 0.33014(11) | 0.65796(16) | 0.0318(5) |
| H17A | 0.9648 | 0.3191 | 0.6037 | 0.038* |
| C18 | 0.95644(12) | 0.28317(11) | 0.74296(16) | 0.0350(5) |
| H18A | 1.0007 | 0.2405 | 0.7483 | 0.042* |
| C19 | 0.91164(13) | 0.29944(11) | 0.81988(15) | 0.0324(5) |
| H19A | 0.9245 | 0.2674 | 0.8785 | 0.039* |
| C20 | 0.84792(12) | 0.36236(11) | 0.81190(13) | 0.0250(4) |
| H20A | 0.8174 | 0.3717 | 0.8655 | 0.030* |
| C21 | 0.82645(11) | 0.41280(10) | 0.72844(12) | 0.0190(4) |
| C22 | 0.87226(11) | 0.39350(10) | 0.65159(13) | 0.0228(4) |
| H22A | 0.8595 | 0.4250 | 0.5926 | 0.027* |
| C23 | 0.72769(11) | 0.52700(10) | 0.61237(11) | 0.0157(4) |
| C24 | 0.64354(11) | 0.51030(10) | 0.54204(12) | 0.0169(4) |
| H24A | 0.5981 | 0.4759 | 0.5608 | 0.020* |
| C25 | 0.62380(12) | 0.54193(10) | 0.44609(12) | 0.0198(4) |
| H25A | 0.5652 | 0.5297 | 0.4013 | 0.024* |
| C26 | 0.68872(12) | 0.59098(10) | 0.41547(12) | 0.0201(4) |
| H26A | 0.6754 | 0.6128 | 0.3499 | 0.024* |
| C27 | 0.77368(11) | 0.60788(10) | 0.48188(12) | 0.0214(4) |
| H27A | 0.8197 | 0.6406 | 0.4615 | 0.026* |
| C28 | 0.79163(11) | 0.57717(10) | 0.57789(12) | 0.0202(4) |
| H28A | 0.8499 | 0.5906 | 0.6225 | 0.024* |
| C29 | 0.81020(11) | 0.56043(10) | 0.80204(12) | 0.0170(4) |
| C30 | 0.77297(12) | 0.63812(10) | 0.79610(12) | 0.0220(4) |
| H30A | 0.7175 | 0.6493 | 0.7461 | 0.026* |
| C31 | 0.81293(13) | 0.69904(11) | 0.85934(13) | 0.0249(4) |
| H31A | 0.7843 | 0.7504 | 0.8528 | 0.030* |
| C32 | 0.89480(12) | 0.68545(10) | 0.93252(12) | 0.0226(4) |
| H32A | 0.9230 | 0.7271 | 0.9761 | 0.027* |
| C33 | 0.93421(12) | 0.61016(11) | 0.94042(12) | 0.0223(4) |
| H33A | 0.9904 | 0.5998 | 0.9898 | 0.027* |
| C34 | 0.89252(11) | 0.54931(10) | 0.87686(12) | 0.0197(4) |
| H34A | 0.9211 | 0.4980 | 0.8845 | 0.024* |
| C35 | 0.66057(11) | 0.46053(10) | 0.76453(11) | 0.0164(4) |
| C36 | 0.61816(11) | 0.50384(10) | 0.83018(12) | 0.0199(4) |
| H36A | 0.6429 | 0.5550 | 0.8517 | 0.024* |
| C37 | 0.54082(12) | 0.47482(11) | 0.86528(12) | 0.0238(4) |
| H37A | 0.5141 | 0.5062 | 0.9098 | 0.029* |
| C38 | 0.50299(12) | 0.40098(11) | 0.83585(13) | 0.0250(4) |
| H38A | 0.4516 | 0.3804 | 0.8612 | 0.030* |
| C39 | 0.54129(12) | 0.35729(11) | 0.76862(12) | 0.0233(4) |
| H39A | 0.5149 | 0.3069 | 0.7461 | 0.028* |
| C40 | 0.61785(11) | 0.38670(10) | 0.73413(12) | 0.0197(4) |
| H40A | 0.6426 | 0.3556 | 0.6879 | 0.024* |
| H1N2 | 0.4834(14) | 0.3927(12) | 0.3228(15) | 0.035(6)* |
| H1N1 | 0.7547(13) | 0.0746(12) | 0.7338(15) | 0.031(5)* |
Source of material
To a solution of 4-[2-(dipropylamino) ethyl]-1,3-dihydro-2H-indol-2-one (0.26g, 1 mmol) in deionized water (25 mL) a solution of sodium tetraphenylborate (0.34 g, 1 mmol) in deionized water (25 mL) was added. A greenish precipitate was formed and filtered off, washed with cold water. The precipitate was dried under vacuum to give the title salt. Recrystallization from ethanol gave a yield of 74%.
Experimental details
All carbon-bound hydrogen atoms were placed in calculated positions. The coordinates and the Uiso values of the nitrogen-bound were refined freely.
Discussion
Ropinirole is a non-ergoline dopamine D2 receptor agonist, used to treat Parkinson's disease and restless leg syndrome [1–4]. Ropinirole is the first drug approved by the FDA for the treatment of the restless legs syndrome [5]. Sodium tetraphenylborate is used in inorganic and organometallic chemistry as a precipitating reagent [6]. It is also used for the formation of sensing material in polyvinyl chloride sensors [7–10].
In this study we report the synthesis and X-ray crystal structure of the tetraphenylborate salt of ropinirole. The packing in the crystal structure is stabilized via one intermolecular classical hydrogen bond, of which O1 work as hydrogen bond acceptor and N1 work as hydrogen bond donor. The distance of the interaction between N1—N1H1⋯O1i is 1.839(19) Å, and the angle is 142.8(17) Å. Symmetry codes: (i) x, −y+1/2, z+1/2. All bond lengths and angles are in the normal ranges.
Funding source: King Saud University
Award Identifier / Grant number: RG-1436–024
Funding statement: The authors would like to extend their sincere appreciation to the Deanship of Scientific Research at King Saud University for its funding of this research through the Research Group Project no. RG-1436–024.
Acknowledgements:
The authors would like to extend their sincere appreciation to the Deanship of Scientific Research at King Saud University for its funding of this research through the Research Group Project no. RG-1436–024.
References
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©2016 Hazem A. Ghabbour et al., published by De Gruyter.
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.
Articles in the same Issue
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- 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
- 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
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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
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- 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