Abstract
C34H38AuN2O4PS, triclinic, P1̄ (no. 2), a = 10.2034(8) Å, b = 11.5755(9) Å, c = 15.7533(12) Å, α = 69.948(2)°, β = 86.496(2)°, γ = 71.370(2)°, V = 1653.8(2) Å3, Z = 2, Rgt(F) = 0.0355, wRref(F2) = 0.0858, T = 223(2) K.

The molecular structures are shown in the figure. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters.
Data collection and handling.
| Crystal: | Yellow prism |
| Size: | 0.16 × 0.15 × 0.11 mm |
| Wavelength: | Mo Kα radiation (0.71073 Å) |
| μ: | 4.60 mm−1 |
| Diffractometer, scan mode: | Bruker AXS SMART, φ and ω |
| θmax, completeness: | 30.0°, >99% |
| N(hkl)measured, N(hkl)unique, Rint: | 13916, 9419, 0.029 |
| Criterion for Iobs, N(hkl)gt: | Iobs > 2 σ(Iobs), 8135 |
| N(param)refined: | 391 |
| Programs: | Bruker [1], SHELX [2], [3], WinGX/ORTEP [4] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
| Atom | x | y | z | Uiso*/Ueq |
|---|---|---|---|---|
| Au | 0.22383(2) | 0.23082(2) | 0.17550(2) | 0.03083(5) |
| S1 | 0.33883(11) | 0.29783(9) | 0.04602(6) | 0.0376(2) |
| P1 | 0.11606(10) | 0.15422(8) | 0.30186(6) | 0.02898(18) |
| O1 | 0.1504(3) | 0.5087(2) | 0.05143(17) | 0.0343(5) |
| O2 | 0.6365(4) | 0.3526(4) | −0.3702(2) | 0.0636(9) |
| O3 | 0.7886(3) | 0.3784(4) | −0.2961(2) | 0.0611(9) |
| O4 | 0.7170(4) | 0.1044(4) | 0.8253(2) | 0.0624(9) |
| N1 | 0.2635(3) | 0.5386(3) | −0.0790(2) | 0.0351(7) |
| N2 | 0.6709(4) | 0.3801(3) | −0.3083(2) | 0.0455(8) |
| C1 | 0.2468(4) | 0.4627(3) | −0.0018(2) | 0.0292(7) |
| C2 | 0.3665(4) | 0.4936(3) | −0.1346(2) | 0.0316(7) |
| C3 | 0.3343(4) | 0.4576(4) | −0.2032(3) | 0.0440(9) |
| H3 | 0.243304 | 0.458986 | −0.211507 | 0.053* |
| C4 | 0.4339(4) | 0.4196(4) | −0.2599(3) | 0.0443(9) |
| H4 | 0.411683 | 0.393732 | −0.306130 | 0.053* |
| C5 | 0.5665(4) | 0.4198(4) | −0.2481(2) | 0.0344(8) |
| C6 | 0.5998(4) | 0.4587(5) | −0.1818(3) | 0.0491(10) |
| H6 | 0.690401 | 0.459071 | −0.174584 | 0.059* |
| C7 | 0.4992(4) | 0.4972(5) | −0.1258(3) | 0.0474(10) |
| H7 | 0.520864 | 0.526150 | −0.081129 | 0.057* |
| C8 | 0.0699(4) | 0.6446(3) | 0.0152(3) | 0.0381(8) |
| H8A | 0.010465 | 0.661132 | −0.037059 | 0.046* |
| H8B | 0.131022 | 0.698145 | −0.004020 | 0.046* |
| C9 | −0.0166(5) | 0.6752(4) | 0.0905(3) | 0.0509(11) |
| H9A | −0.072927 | 0.765849 | 0.069454 | 0.076* |
| H9B | −0.076311 | 0.621274 | 0.108818 | 0.076* |
| H9C | 0.043616 | 0.658094 | 0.141684 | 0.076* |
| C10 | 0.0102(4) | 0.2788(3) | 0.3442(2) | 0.0302(7) |
| C11 | −0.0943(4) | 0.2576(3) | 0.4019(3) | 0.0371(8) |
| H11 | −0.115169 | 0.179866 | 0.415846 | 0.044* |
| C12 | −0.1682(4) | 0.3497(4) | 0.4393(3) | 0.0392(8) |
| H12 | −0.238909 | 0.334086 | 0.478256 | 0.047* |
| C13 | −0.1385(4) | 0.4658(3) | 0.4196(3) | 0.0358(8) |
| C14 | −0.0348(4) | 0.4858(4) | 0.3617(3) | 0.0392(8) |
| H14 | −0.014121 | 0.563700 | 0.347176 | 0.047* |
| C15 | 0.0392(4) | 0.3939(3) | 0.3245(3) | 0.0338(7) |
| H15 | 0.109958 | 0.409557 | 0.285540 | 0.041* |
| C16 | −0.2192(5) | 0.5649(4) | 0.4613(3) | 0.0481(10) |
| H16A | −0.169048 | 0.552662 | 0.515748 | 0.072* |
| H16B | −0.309216 | 0.554287 | 0.476587 | 0.072* |
| H16C | −0.231273 | 0.651376 | 0.418544 | 0.072* |
| C17 | 0.0001(4) | 0.0726(3) | 0.2862(2) | 0.0299(7) |
| C18 | 0.0208(4) | −0.0584(3) | 0.3287(2) | 0.0340(7) |
| H18 | 0.098098 | −0.109332 | 0.369254 | 0.041* |
| C19 | −0.0709(4) | −0.1160(4) | 0.3125(3) | 0.0412(9) |
| H19 | −0.055585 | −0.205089 | 0.342632 | 0.049* |
| C20 | −0.1840(5) | −0.0437(4) | 0.2525(3) | 0.0431(9) |
| C21 | −0.2054(4) | 0.0883(4) | 0.2086(3) | 0.0447(9) |
| H21 | −0.282106 | 0.138489 | 0.167528 | 0.054* |
| C22 | −0.1144(4) | 0.1464(4) | 0.2250(2) | 0.0385(8) |
| H22 | −0.129796 | 0.235558 | 0.194961 | 0.046* |
| C23 | −0.2851(6) | −0.1067(6) | 0.2361(3) | 0.0649(14) |
| H23A | −0.363716 | −0.040522 | 0.197950 | 0.097* |
| H23B | −0.317002 | −0.151269 | 0.293463 | 0.097* |
| H23C | −0.239294 | −0.168499 | 0.206265 | 0.097* |
| C24 | 0.2371(4) | 0.0392(3) | 0.3950(2) | 0.0302(7) |
| C25 | 0.2307(4) | 0.0479(4) | 0.4803(2) | 0.0395(8) |
| H25 | 0.161253 | 0.116228 | 0.491694 | 0.047* |
| C26 | 0.3244(4) | −0.0419(4) | 0.5490(3) | 0.0416(9) |
| H26 | 0.317719 | −0.033485 | 0.606480 | 0.050* |
| C27 | 0.4281(4) | −0.1442(3) | 0.5358(3) | 0.0380(8) |
| C28 | 0.4340(5) | −0.1525(4) | 0.4498(3) | 0.0482(10) |
| H28 | 0.503223 | −0.221310 | 0.438794 | 0.058* |
| C29 | 0.3413(4) | −0.0628(4) | 0.3801(3) | 0.0414(9) |
| H29 | 0.348340 | −0.070513 | 0.322408 | 0.050* |
| C30 | 0.5273(5) | −0.2437(5) | 0.6131(3) | 0.0588(12) |
| H30A | 0.560104 | −0.199961 | 0.645794 | 0.088* |
| H30B | 0.605456 | −0.295221 | 0.589547 | 0.088* |
| H30C | 0.480186 | −0.299889 | 0.653779 | 0.088* |
| C31 | 0.8373(5) | 0.0655(7) | 0.8817(4) | 0.0722(16) |
| H31A | 0.895320 | 0.120362 | 0.854553 | 0.087* |
| H31B | 0.891532 | −0.024861 | 0.890491 | 0.087* |
| C32 | 0.7898(6) | 0.0796(6) | 0.9680(4) | 0.0689(15) |
| H32A | 0.770141 | 0.169137 | 0.965985 | 0.083* |
| H32B | 0.858474 | 0.021338 | 1.017603 | 0.083* |
| C33 | 0.6602(6) | 0.0426(6) | 0.9781(4) | 0.0663(14) |
| H33A | 0.592392 | 0.090299 | 1.011000 | 0.080* |
| H33B | 0.680318 | −0.050684 | 1.010126 | 0.080* |
| C34 | 0.6079(5) | 0.0801(5) | 0.8818(3) | 0.0557(12) |
| H34A | 0.582008 | 0.009750 | 0.873825 | 0.067* |
| H34B | 0.526249 | 0.158057 | 0.866460 | 0.067* |
Source of material
The compound was prepared as per the literature [5] and crystals were harvested from a tetrahydrofuran solution of the compound.
Experimental details
The H atoms were geometrically placed (C—H = 0.94–0.98 Å) and refined as riding with Uiso(H) = 1.2–1.5Ueq(C). Owing to poor agreement, a number of reflections, i.e. (0 0 1), (−2 −1 6), (−1 0 6), (0 1 0), (2 8 15), (4 0 4), (−4 6 5), (−2 0 12), (8 0 6) and (−1 0 7), were omitted from the final cycles of refinement. The maximum and minimum residual electron density peaks of 1.36 and 0.84 e Å−3, respectively, were located 0.89 and 1.31 Å from the Au and S1 atoms, respectively.
Comment
Conformational flexibility about the S—C bond in phosphanegold(I) thioamide molecules of the general formula R3PAu[SC(OR′)=NR′′] means either the alkoxyl-O atom is orientated towards the gold(I) centre, forming an intramolecular Au⋯O contact, or the arene ring is disposed towards the gold(I) centre, enabling the formation of an intramolecular Au⋯π interaction. DFT calculations suggest the latter is more favourable [6]. Nevertheless, Au⋯O interactions are generally formed, possibly owing to electronic effects/steric congestion [7], [8]. Although conformational polymorphs featuring Au⋯O or Au⋯π interactions are comparatively rare [9], [10], unsolvated forms of the title solvate, (4-tolyl)3PAu[SC(OEt)=NC6H4NO2-4]. THF (I), are known to feature Au⋯O [5] or Au⋯π [11] interactions. In on-going systematic studies of R3PAu[SC(OR′)=NR′′] molecules, the crystal and molecular structures of (I) are described.
The molecular structures are shown in the figure (50% displacement ellipsoids). The gold(I) atom is in the expected linear geometry [P1—Au—S1 = 176.88(3)°] defined by phosphane-P [Au—P1 = 2.2589(9) Å] and thiolato-S [Au—S1 = 2.3115(9) Å] atoms. The thiolato-C1—S1 [1.746(3) Å] and imine-C1—N1 [1.282(6) Å] bond lengths in (I) have lengthened and shortened, respectively, compared with the equivalent thione [1.672(2) Å] and amine [1.354(3) Å] bonds in the parent acid, i.e. EtOC(=S)N(H)C6H4NO2-4 [12]. The orientation of the thiolato ligand is such as to place the ethoxy-O1 atom in close proximity to the gold(I) atom with the Au⋯O separation being 3.009(2) Å]. The Au—S1 [2.3105(8) Å], Au—P1 [2.2611(8) Å] and Au⋯O1 [2.915(2) Å] separations in the solvent-free form [5] are very close to those in (I) with the shorter Au⋯O separation correlating with a greater deviation from 180° for the P1—Au—S1 angle [175.80(3)°], i.e. by approximately 1° compared with that in (I). For the conformational polymorph featuring the intramolecular Au⋯π interaction [11], Au—S1 [2.303(3) Å] is experimentally equivalent to those above but, the Au—P1 bond length [2.271(3) Å] appears to have lengthened, perhaps owing to steric congestion due to the proximity of the arene ring.
In the crystal of (I), tolyl-C—H⋯N(imine) interactions [C22—H22⋯N1i: H22⋯N1i = 2.60 Å, C22⋯N1i = 3.469(5) Å with angle at H22 = 153° for symmetry operation (i): −x, 1 − y, −z] lead to centrosymmetric dimers. These are connected into a supramolecular chain aligned, approximately, along [−1 −2 6], sustained by tolyl-C—H⋯π(tolyl) interactions [C26—H26⋯Cg(C17–C22)ii: H26⋯Cg(C17–C22)ii = 2.93 Å with angle at H26 = 133° for (ii) −x, −y, 1 − z]. The packing of the chains define columns parallel to the a-axis direction in which reside the solvent THF molecules. The closest contact involving the THF molecule is a tolyl-C—H⋯O(THF) interaction [C29—H29⋯O4iii: H29⋯O4iii = 2.64 Å with angle at H29 = 160° for (iii) 1 − x, −y, 1 − z]. The lack of directional interactions between the host and guest molecules accounts for the instability of the crystals of (I), which lose solvent upon standing in the atmosphere.
A further investigation of the molecular packing was conducted by calculating the Hirshfeld surfaces and two-dimensional fingerprint plots with the aid of Crystal Explorer 17 [13] following literature procedures [14]. The dominant contacts about the THF molecule are H⋯H [64.1%] and H⋯C/C⋯H [15.2%], with the next most dominant being H⋯O/O⋯H at 7.5% and H⋯S/S⋯H at 5.6%. The distribution of contacts for the gold-containing molecule follow similar trends with the dominant contacts being H⋯H [52.2%] and H⋯C/C⋯H [21.0%], but reduced and increased, respectively, compared with the THF molecule. Contacts due to H⋯N/N⋯H, with a characteristic forceps-like distribution in the two-dimensional fingerprint plot account for only 2.3% of surface contacts with greater contributions from H⋯O/O⋯H [14.2%] and H⋯S/S⋯H [5.1%] but at separations exceeding the sums of the respective van der Waals radii.
Acknowledgements
Sunway University Sdn Bhd is thanked for financial support of this work through Grant No. STR-RCTR-RCCM-001–2019.
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©2020 Fong Sheen Kuan et al., published by De Gruyter, Berlin/Boston
This work is licensed under the Creative Commons Attribution 4.0 International License.
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- Crystal structure of cyclo[diaqua-bis(μ2-3′,5-dicarboxy-[1,1′-biphenyl]-3,4′-dicarboxylato-κ4O,O′:O′′,O′′′)-bis(4,4′-bis(pyrid-4-yl)biphenyl-K1N)dicadmium(II)], C76H52Cd2N4O18
- Crystal structure of 1-(adamantan-1-yl)-3-aminothiourea, C11H19N3S
- Crystal structure of catena-poly[triaqua-(μ2-1,4-di(pyridin-4-yl)benzene-κ2N:N′)-(3′,5-dicarboxy-[1,1′-biphenyl]-3,4′-dicarboxylato-κO)nickel(II)], C32H26N2O11Ni
- Crystal structure of catena-poly[aqua-(μ4-4,4′-(pyridine-3,5-diyl)dibenzoato-κ4O,O′:O′′:O′′′)zinc(II)], C19H13NO5Zn
- Crystal structure of 4-(4′-(pyridin-4-yl)-[1,1′-biphenyl]-4-yl)pyridin-1-ium 2-carboxy-4-(3,5-dicarboxyphenoxy)benzoate hydrate, C38H28N2O10
- Crystal structure of 3-[(triisopropylsilanyl)-ethynyl]-6a,12a-dihydro-1H-1,4-diaza-benzo[α]anthracene-2,7,12-trione, C27H28N2O3Si
- Crystal structure of [(bis(1,10-phenanthroline-κ2N,N′)-(2-carboxy-4-(3-carboxy-5-carboxylatophenoxy)benzoato-κ2O:O′))nickel(II) monohydrate, (1,10-phenanthroline-κ2N:N′)-(μ2-(5-(3′,4′-dicarboxylphenoxy)-isophthalate-κ2O:O′))nickel(II)], C40H24N4O9Ni ⋅ H2O
- Crystal structure of 4-(3-(pyridin-3-yl)ureido)benzoic acid — adipic acid (2/1), C16H16N3O5
- Crystal structure of poly[bis{μ2-5-carboxy-4′-methyl-[1,1′-biphenyl]-3-carboxylato-κ2O:O′}-{μ2-4,4′-bipyridine-κ2N:N′}]cobalt(II), C40H30N2O8Co
- Crystal structure of aqua-(2,2′-bipyridine-κ2N,N′)(((3-nitrophenyl)sulfonyl)glycine-κ2N,O)copper(II) dihydrate, C18H20CuN4O9S
- Crystal structure of bis{2-bromo-6-(((4-(1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O}copper(II), C32H28Br2CuN4O4
- Crystal structure of bis(2-(2-((2,6-dichlorophenyl)amino)phenyl)acetato-κ2O,O′)-(1,10-phenanthroline-κ2N,N′)zinc(II), C40H28Cl4N4O4Zn
- Crystal structure of 2-(3,6-dimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)-2-oxoethyl acetate, C14H17NO4
- Crystal structure of poly[dibromido-bis(μ2-1,6-di(1H-imidazol-1-yl)hexane-κ2N:N′)cadmium(II)], C24H36Br2N8Cd
- Synthesis and crystal structure of ((6R,7S)-3-ethyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl)(phenyl)methanone hemihydrate, 2(C19H18N4OS) ⋅ H2O
- Crystal structure of 2-(5-(pyridin-3-yl)-4-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)pyridine, C17H12N6
- The crystal structure of N-((1E,2E)-1,3-bis(4-fluorophenyl)but-2-en-1-ylidene)-4-methylbenzenesulfonamide, C23H19F2NO2S
- Crystal structure of diacetato-κ1O-diethanol-κ1O-bis(μ2-2-(((2-hydroxyethyl)imino)methyl)-5-methoxyphenolato-κ4O,N,O′:O′′)dinickel(II), C28H42Ni2N2O12
- The crystal structure of catena-poly[chlorido-(μ2-1,4-bis(pyridin-3-yl-methoxy)benzene-κ2N:N′)copper(II)], C18H16ClN2O2Cu
- N′,N′′′-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(methaneylylidene))bis(2-hydroxybenzohydrazide)nickel(II), C30H24N4NiO6
- Crystal structure of (E)-3′,6′-bis(ethylamino)-2′,7′-dimethyl-2-(2-((quinolin-2-ylmethylene)amino)ethyl)spiro[isoindoline-1,9′-xanthen]-3-one, C38H37N5O2
- Crystal structure of 4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl-1-ium 5,3′,5′-tricarboxy-[1,10-biphenyl]-2-carboxylate, C25H17N2O8
- The crystal structure of 1-carboxy-2-(1H-indol-3-yl)-N,N,N-trimethylethan-1-ammonium chloride, C14H19N2O2Cl
- The crystal structure of 5-bromo-2-fluoronicotinic acid monohydrate, C6H5BrFNO3
- Crystal structure of ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate, C7H7F3N2O2
- Crystal structure of tetrakis(1H-benzo[d]imidazol-3-ium) bis(μ5-phenylphosphonato)-pentakis(μ2-oxido)-decaoxo-penta-molybdenum dihydrate, C40H42Mo5N8O23P2
- Structure of 7-(3,3,4,4,5,5-hexafluoro-2-(2-methylbenzo[b]thiophen-3-yl)cyclopent-1-en-1-yl)-8-methylquinoline, C24H15F6NS
- Crystal structure of monocarbonyl[2-((cyclopentylmethylene)amino)-5-methylphenolato-κ2N,O] (tricyclohexylphosphine)rhodium(I), C32H48NO2PRh
- The crystal structure of fac-tricarbonyl(1,10-phenanthroline-κ2N,N′)-(pyrazole-κN)rhenium(I)nitrate, C18H12O3N4Re
- Crystal structure of poly[diaqua-bis(μ2-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato-κ2N:O)nickel(II)], C28H22O6N8Ni
- Crystal structure of 4,4′-bis(pyridin-1-ium-4-yl)biphenyl poly[bis(μ2-4,4′-bis(pyrid-4-yl)biphenyl-K2N:N′)-tetrakis(μ4-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-K4O,O′:O′′:O′′′)-bis[[μ2-1,1′-biphenyl]-3-carboxyl-5-carboxylato-K2O:O′]tetracobalt(II)]— [1,1′-biphenyl]-3,5-dicarboxylic acid (1/2), C93H68N3O16Co2
- The crystal structure of 4a-formyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-1-2-6a,6b,9,9,12a-heptamethylpicen-10-yl acetate, C32H50O3
- Crystal structure of 3,3′-(1,2-phenylenebis(methylene))bis(1-methyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C16H20F12N4P2
- Crystal structure of catena-poly[diaqua-(μ2-tartrato-κ4O,O′:O′′,O′′′)zinc(II)], C4H8O8Zn
- The crystal structure of (6aR,6bS,8aS,8bR,9S,11aS,12aS,12bS)-10-(4-acetoxy-3-methylbutyl)-6a,8a,9-trimethyl-3,4,5,6,6a,6b,7,8,8a,8b,9,10,11a,12,12a,12b-hexadecahydro-1H-naphtho[2′,1′:4,5]indeno[2,1-b]furan-4-yl acetate, C31H48O5
- Crystal structure of 4,4′-(oxybis(methylene))bis(bromobenzene), C14H12Br2O
- Crystal structure of (N,N-dimethylsulphoxide)-[N-(3-ethoxy-2-(oxide)benzylidene)-3-methoxybenzenecarbohydrazonato-κ3N,O,O′]-dioxo-molybdenum(VI), C19H22MoN2O7S
- Crystal structure of dichlorido-bis(dimethyl sulphoxide-κO)-bis(4-methylbenzyl-κC1)tin(IV), C20H30Cl2O2S2Sn
- Crystal structure of (E)-2-amino-N′-(2-hydroxy-4-(2-(piperidin-1-yl)ethoxy)benzylidene)benzohydrazide monohydrate, C21H26N4O3 ⋅ H2O
- Crystal structure of chloridotris(4-chlorophenyl)(dimethyl sulfoxide-κO)tin(IV), C20H18Cl4OSSn
- Crystal structure of catena{di-aqua-sodium-[N-(hydroxyethyl), N-isopropyl-dithiocarbamato]}n, [C6H16NNaO2S2]n
- Crystal structure of 2,2,4,4,6,6-hexakis(4-chlorophenyl)-1,3,5,2,4,6-trithiatristanninane, C36H24Cl6S3Sn3
- Crystal structure of 6-methoxy-3-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-4H-chromen-4-one-methanol (1/1), C20H18N2O6
- Crystal structure of hexanedihydrazide, C6H14N4O2
- Crystal structure of tert-butyl 2-(hydroxymethyl)-5-{4-[(methoxycarbonyl)amino]phenyl}-2,5-dihydro-1H-pyrrole-1-carboxylate, C18H24N2O5
- Crystal structure of [(Z)-O-isopropyl N-(4-nitrophenyl)thiocarbamato-κS]-(triphenylphosphine-κP)-gold(I), C28H26AuN2O3PS
- Crystal structure of [O-ethyl N-(4-nitrophenyl)thiocarbamato-κS](tri-4-tolylphosphine-κP)gold(I) tetrahydrofuran solvate, C30H30AuN2O3PS, C4H8O
Articles in the same Issue
- Frontmatter
- Crystal structure of isopimara-7,15-dien-3-one, C20H30O
- Crystal structure of bis(6-aminopyridine-2-carboxylato-κ2O,N)-copper(II), C12H10O6N4Cu
- Crystal structure of 5,6-diphenyldibenzo[c, g]chrysene, C38H24
- Poly[bis(dimethylformamide-κO)-(μ8-5,5′′-dicarboxy-[1,1′:4′,1′′-terphenyl]-2′,3,3′′,5′-tetracarboxylato-κ8O:O1:O2:O3:O4:O5:O6:O7)dizinc(II)] — dimethylformamide (1/2), C18H19N2O8Zn
- The crystal structure of poly[bis(N,N-dimethylformamide-κ1O)(μ4- 2′,5,5′,5′′-tetracarboxy-[1,1′:4′,1′′-terphenyl]-3,3′′-dicarboxylato-κ4O:O′:O′′:O′′′)manganese(II)] — N,N-dimethylformamide (1/2), C36H40N4O16Mn
- Crystal structure of N,N-dimethyl-4-((7-nitrobenzo[c][1,2,5]thiadiazol-4-yl)ethynyl)aniline, C16H12N4O2S
- The crystal structure of 8a-methoxy 8a-methoxy-1,5,8a,9a-tetrahydro-4H-8,9-dioxa-3a1λ4-aza-8aλ4, C18H14BNO3
- Crystal structure of poly[diaqua-(μ2-5-isopropoxyisophthalato-κ2O:O′)-(μ2-(1,3-bis(3,5-di(1H-imidazol-1-yl)pyridine))-κ2N:N′)cobalt(II)] monohydrate, C22H25N5O8Co
- The crystal structure of acetoximium 1′-hydroxy-1H,1H′-5,5′-bitetrazole-1-olate monohydrate, C5H11N9O4
- Crystal structure of 3-(2-ethoxy-2-oxoethyl)-1-vinyl-1H-imidazol-3-ium hexafluoridophosphate(V), C9H13F6N2O2P
- The crystal structure of catena-poly[(μ2-4-(benzo[d]imidazol-2-yl)benzenecarboxylato-κ2N,O)-(μ2-4-(benzo[d]imidazol-2-yl)benzenecarboxylato-κ3N,O:O′)cadmium(II)]dihydrate, C28H22CdN4O6
- Enzyme-mediated synthesis and crystal structure of (2R,4S)-hydroxyketamine, C13H16ClNO2
- The crystal structure of bis(isothiocyanato-κ1N)-(methanol-κ1O)-[2-morpholine-4-yl-4,6-di(pyrazol-1-yl)-1,3,5-triazine-κ3N,N′,N′′] manganese(II), C16H18MnN10O2S2
- Crystal structure of bis{5-chloro-2-(((4-trifluoromethyl)imino)methyl)phenolato-κ2N,O}copper(II), C28H16Cl2CuF6N2O2
- Crystal structure of bis(1,3-phenylenedimethanaminium) bis(triiodide) tetraiodide – water (1/2) , C8H16I5N2O
- Crystal structure and anti-inflammatory activity of (3E,5E)-3,5-bis(2-fluorobenzylidene)-1-((4-fluorophenyl)sulfonyl)piperidin-4-one, C25H18F3NO3S
- The crystal structure of bis{3-(diphenylphosphaneyl)propanoato-κ2O,P}platinum(II) dihydrate, C30H28O6P2Pt
- The crystal structure of (E)-2-(4-((4-fluorobenzyl)oxy)styryl)-4,6-dimethoxybenzaldehyde, C24H21FO4
- Crystal structure of bis[3-methoxy-N-(1-(pyrazin-2-yl)ethylidene)benzohydrazonato-κ3O,N,N′]nickel(II), C28H26N8O4Ni
- Crystal structure of 1-(2-(pyridin-2-yl)-5-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl)ethan-1-one, C14H12N4O2
- Synthesis and crystal structure of 3-N-acetyl-5-(pyridin-3-yl)-2-(quinolin-2-yl)-1,3,4-oxadiazoline, C18H14N4O2
- Crystal structure of 2-methyl-1H-perimidine, C12H10N2
- Crystal structure of (E)-2-(5,5-dimethyl-3-(4-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)oxy)styryl)cyclohex-2-en-1-ylidene)malononitrile, C25H19N5O4
- Structural elucidation of 1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4,5-dihydroxy-2-methylanthracene-9,10-dione isolated from Bulbine latifolia (L.) Wild, C24H18O8
- Crystal structure of 3-cinnamoyl-4-hydroxybenzoic acid, C16H12O4
- The crystal structure of poly[bis(μ4-2,3-pyridinedicarboxylato)-(μ2-oxalyl dihydrazide)-dicadmium(II) dihydrate], C16H16O12N6Cd2
- Synthesis and crystal structure of 1-{4-[(3-bromo-2-hydroxy-benzylidene)amino]phenyl}ethanone, C15H12BrNO2
- Synthesis and crystal structure of 1-{4-[(2-bromo-6-hydroxy-benzylidene)amino]phenyl}ethanone, C15H12BrNO2
- Crystal structure of (4-aminobenzoato-κ2O,O′)-[5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′]nickel(II) perchlorate monohydrate, C23H44ClN5NiO7
- Crystal structure of 1-{4-[(4-fluoro-2-hydroxy-benzylidene)amino]phenyl}ethanone, C15H12FNO2
- Preparation and crystal structure of a non-symmetrical vanadium(II) dimer: tri-μ2-bromido-(hydrogen-tris(3-isopropyl-4-bromopyrazol-1-yl)borato-κ3N,N′,N′′)-tris(tetrahydrofuran-κO)divanadium(II) – tetrahydrofuran (1/1), C34H57BBr6N6O4V2
- Crystal structure of bis{2-(((4-(1-(hydroxyl-imino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O}cobalt(II), C30H26CoN4O4
- Crystal structure of 3-((3-nitrophenyl)sulfonamido)propanoic acid — 4,4′-bipyridine (1/1), C19H18N4O6S
- Crystal structure of cyclo[diaqua-bis(μ2-3′,5-dicarboxy-[1,1′-biphenyl]-3,4′-dicarboxylato-κ4O,O′:O′′,O′′′)-bis(4,4′-bis(pyrid-4-yl)biphenyl-K1N)dicadmium(II)], C76H52Cd2N4O18
- Crystal structure of 1-(adamantan-1-yl)-3-aminothiourea, C11H19N3S
- Crystal structure of catena-poly[triaqua-(μ2-1,4-di(pyridin-4-yl)benzene-κ2N:N′)-(3′,5-dicarboxy-[1,1′-biphenyl]-3,4′-dicarboxylato-κO)nickel(II)], C32H26N2O11Ni
- Crystal structure of catena-poly[aqua-(μ4-4,4′-(pyridine-3,5-diyl)dibenzoato-κ4O,O′:O′′:O′′′)zinc(II)], C19H13NO5Zn
- Crystal structure of 4-(4′-(pyridin-4-yl)-[1,1′-biphenyl]-4-yl)pyridin-1-ium 2-carboxy-4-(3,5-dicarboxyphenoxy)benzoate hydrate, C38H28N2O10
- Crystal structure of 3-[(triisopropylsilanyl)-ethynyl]-6a,12a-dihydro-1H-1,4-diaza-benzo[α]anthracene-2,7,12-trione, C27H28N2O3Si
- Crystal structure of [(bis(1,10-phenanthroline-κ2N,N′)-(2-carboxy-4-(3-carboxy-5-carboxylatophenoxy)benzoato-κ2O:O′))nickel(II) monohydrate, (1,10-phenanthroline-κ2N:N′)-(μ2-(5-(3′,4′-dicarboxylphenoxy)-isophthalate-κ2O:O′))nickel(II)], C40H24N4O9Ni ⋅ H2O
- Crystal structure of 4-(3-(pyridin-3-yl)ureido)benzoic acid — adipic acid (2/1), C16H16N3O5
- Crystal structure of poly[bis{μ2-5-carboxy-4′-methyl-[1,1′-biphenyl]-3-carboxylato-κ2O:O′}-{μ2-4,4′-bipyridine-κ2N:N′}]cobalt(II), C40H30N2O8Co
- Crystal structure of aqua-(2,2′-bipyridine-κ2N,N′)(((3-nitrophenyl)sulfonyl)glycine-κ2N,O)copper(II) dihydrate, C18H20CuN4O9S
- Crystal structure of bis{2-bromo-6-(((4-(1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O}copper(II), C32H28Br2CuN4O4
- Crystal structure of bis(2-(2-((2,6-dichlorophenyl)amino)phenyl)acetato-κ2O,O′)-(1,10-phenanthroline-κ2N,N′)zinc(II), C40H28Cl4N4O4Zn
- Crystal structure of 2-(3,6-dimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)-2-oxoethyl acetate, C14H17NO4
- Crystal structure of poly[dibromido-bis(μ2-1,6-di(1H-imidazol-1-yl)hexane-κ2N:N′)cadmium(II)], C24H36Br2N8Cd
- Synthesis and crystal structure of ((6R,7S)-3-ethyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl)(phenyl)methanone hemihydrate, 2(C19H18N4OS) ⋅ H2O
- Crystal structure of 2-(5-(pyridin-3-yl)-4-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)pyridine, C17H12N6
- The crystal structure of N-((1E,2E)-1,3-bis(4-fluorophenyl)but-2-en-1-ylidene)-4-methylbenzenesulfonamide, C23H19F2NO2S
- Crystal structure of diacetato-κ1O-diethanol-κ1O-bis(μ2-2-(((2-hydroxyethyl)imino)methyl)-5-methoxyphenolato-κ4O,N,O′:O′′)dinickel(II), C28H42Ni2N2O12
- The crystal structure of catena-poly[chlorido-(μ2-1,4-bis(pyridin-3-yl-methoxy)benzene-κ2N:N′)copper(II)], C18H16ClN2O2Cu
- N′,N′′′-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(methaneylylidene))bis(2-hydroxybenzohydrazide)nickel(II), C30H24N4NiO6
- Crystal structure of (E)-3′,6′-bis(ethylamino)-2′,7′-dimethyl-2-(2-((quinolin-2-ylmethylene)amino)ethyl)spiro[isoindoline-1,9′-xanthen]-3-one, C38H37N5O2
- Crystal structure of 4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl-1-ium 5,3′,5′-tricarboxy-[1,10-biphenyl]-2-carboxylate, C25H17N2O8
- The crystal structure of 1-carboxy-2-(1H-indol-3-yl)-N,N,N-trimethylethan-1-ammonium chloride, C14H19N2O2Cl
- The crystal structure of 5-bromo-2-fluoronicotinic acid monohydrate, C6H5BrFNO3
- Crystal structure of ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate, C7H7F3N2O2
- Crystal structure of tetrakis(1H-benzo[d]imidazol-3-ium) bis(μ5-phenylphosphonato)-pentakis(μ2-oxido)-decaoxo-penta-molybdenum dihydrate, C40H42Mo5N8O23P2
- Structure of 7-(3,3,4,4,5,5-hexafluoro-2-(2-methylbenzo[b]thiophen-3-yl)cyclopent-1-en-1-yl)-8-methylquinoline, C24H15F6NS
- Crystal structure of monocarbonyl[2-((cyclopentylmethylene)amino)-5-methylphenolato-κ2N,O] (tricyclohexylphosphine)rhodium(I), C32H48NO2PRh
- The crystal structure of fac-tricarbonyl(1,10-phenanthroline-κ2N,N′)-(pyrazole-κN)rhenium(I)nitrate, C18H12O3N4Re
- Crystal structure of poly[diaqua-bis(μ2-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato-κ2N:O)nickel(II)], C28H22O6N8Ni
- Crystal structure of 4,4′-bis(pyridin-1-ium-4-yl)biphenyl poly[bis(μ2-4,4′-bis(pyrid-4-yl)biphenyl-K2N:N′)-tetrakis(μ4-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-K4O,O′:O′′:O′′′)-bis[[μ2-1,1′-biphenyl]-3-carboxyl-5-carboxylato-K2O:O′]tetracobalt(II)]— [1,1′-biphenyl]-3,5-dicarboxylic acid (1/2), C93H68N3O16Co2
- The crystal structure of 4a-formyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-1-2-6a,6b,9,9,12a-heptamethylpicen-10-yl acetate, C32H50O3
- Crystal structure of 3,3′-(1,2-phenylenebis(methylene))bis(1-methyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C16H20F12N4P2
- Crystal structure of catena-poly[diaqua-(μ2-tartrato-κ4O,O′:O′′,O′′′)zinc(II)], C4H8O8Zn
- The crystal structure of (6aR,6bS,8aS,8bR,9S,11aS,12aS,12bS)-10-(4-acetoxy-3-methylbutyl)-6a,8a,9-trimethyl-3,4,5,6,6a,6b,7,8,8a,8b,9,10,11a,12,12a,12b-hexadecahydro-1H-naphtho[2′,1′:4,5]indeno[2,1-b]furan-4-yl acetate, C31H48O5
- Crystal structure of 4,4′-(oxybis(methylene))bis(bromobenzene), C14H12Br2O
- Crystal structure of (N,N-dimethylsulphoxide)-[N-(3-ethoxy-2-(oxide)benzylidene)-3-methoxybenzenecarbohydrazonato-κ3N,O,O′]-dioxo-molybdenum(VI), C19H22MoN2O7S
- Crystal structure of dichlorido-bis(dimethyl sulphoxide-κO)-bis(4-methylbenzyl-κC1)tin(IV), C20H30Cl2O2S2Sn
- Crystal structure of (E)-2-amino-N′-(2-hydroxy-4-(2-(piperidin-1-yl)ethoxy)benzylidene)benzohydrazide monohydrate, C21H26N4O3 ⋅ H2O
- Crystal structure of chloridotris(4-chlorophenyl)(dimethyl sulfoxide-κO)tin(IV), C20H18Cl4OSSn
- Crystal structure of catena{di-aqua-sodium-[N-(hydroxyethyl), N-isopropyl-dithiocarbamato]}n, [C6H16NNaO2S2]n
- Crystal structure of 2,2,4,4,6,6-hexakis(4-chlorophenyl)-1,3,5,2,4,6-trithiatristanninane, C36H24Cl6S3Sn3
- Crystal structure of 6-methoxy-3-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-4H-chromen-4-one-methanol (1/1), C20H18N2O6
- Crystal structure of hexanedihydrazide, C6H14N4O2
- Crystal structure of tert-butyl 2-(hydroxymethyl)-5-{4-[(methoxycarbonyl)amino]phenyl}-2,5-dihydro-1H-pyrrole-1-carboxylate, C18H24N2O5
- Crystal structure of [(Z)-O-isopropyl N-(4-nitrophenyl)thiocarbamato-κS]-(triphenylphosphine-κP)-gold(I), C28H26AuN2O3PS
- Crystal structure of [O-ethyl N-(4-nitrophenyl)thiocarbamato-κS](tri-4-tolylphosphine-κP)gold(I) tetrahydrofuran solvate, C30H30AuN2O3PS, C4H8O