Rh<Subscript>2</Subscript>(OAc)<Subscript>4</Subscript>-catalyzed reaction of 2-(2-carbonylvinyl)-3-phenyl-2<Emphasis Type="Italic">H</Emphasis>-azirines with diazo esters

Rh₂(OAc)₄-catalyzed reaction of 2-(2-carbonylvinyl)-3-phenyl-2H-azirines with diazo esters proceeds through an intermediate generation of azirinium ylide suffering a nonstereoselective ring opening to form (3Z)- and (3E)-2-azahexa-1,3,5-trienes. The former depending on configuration of the C ⁵ =C ⁶ bond may undergo cyclization either in derivative of 2,3-dihydropyridine, or in pyrrolium ylide that isomerizes into a derivative of 1H-pyrrole. According to DFT calculation, the preferred formation of pyrroles at increasing volume of Z-substituent at the atom C ⁶ and of substituents at the atom C ¹ of 2-azahexatriene occurs due to the destabilization of more sterically loaded transition states of 1,6-cyclization.     

Structure,bioactivity and theoretical study of 1-cyano-<Emphasis Type="Italic">N</Emphasis>-p-tolylcyclo-propanecarboxamide

A novel cyclopropane derivative, 1-cyano-N-p-tolylcyclopropanecarboxamide (C₁₂H₁₂N₂O, Mr = 200.24) was synthesized and its structure was studied by X-ray diffraction, FTIR, ¹H and ¹³C NMR spectrum and MS. The crystals are monoclinic, space group P2_1/c with a = 7.109 (4), b = 13.758 (7), c = 11.505 (6) Å, α = 90.00, β = 102.731 (8), γ = 90.00 °, V = 1097.6 (9) ų, Z = 4, F(000) = 312, D _c  = 1.212 g/cm³, μ = 0.0800 mm^?1, the final R = 0.0490 and wR = 0.1480 for 1,375 observed reflections with I > 2σ(I). A total of 6,109 reflections were collected, of which 2,290 were independent (R _int = 0.0290). Theoretical calculation of the title compound was carried out with HF/6-31G (d,p), B3LYP/6-31G (d,p), MP2/6-31G (d,p). The full geometry optimization was carried out using 6-31G(d,p) basis set, and the frontier orbital energy. Atomic net charges were discussed, and the structure-activity relationship was also studied. The preliminary biological test showed that the synthesized compound is bioactive against the KARI of Escherichia coli.     

Molecular dynamic studies of amyloid-beta interactions with curcumin and Cu<Superscript>2+</Superscript> ions

Amyloid-beta (Aβ) peptide readily forms aggregates that are associated with Alzheimer’s disease. Transition metals play a key role in this process. Recently, it has been shown that curcumin (CUA), a polyphenolic phytochemical, inhibits the aggregation of Aβ peptide. However, interactions of Aβ peptide with metal ions or CUA are not entirely clear. In this work, molecular dynamics (MD) simulations were carried out to clear the nature of interactions between the 42-residue Aβ peptide (Aβ-42) and Cu²⁺ ions and CUA. Altogether nine different models were investigated, and more than 2 µs of the simulation data were analyzed. The models represent the possible modes of arrangement between Aβ-42 and Cu²⁺ ions and CUA, respectively, and were used to shed light on the Aβ-42 conformational behavior in the presence of Cu²⁺ ions and CUA molecules. Obtained data clearly showed that the presence of a CUA molecule or a higher concentration of copper ions significantly affect the conformational behavior of Aβ-42. Calculations showed that the change of the His13 protonation state (Aβ(H13δ)-Cu²⁺, Aβ(H13δ)-Cu²⁺ -CUA models) leads to higher occurrence of the Asp23-Lys28 salt bridge. Analyzes of trajectories revealed that C-terminal β-sheet structures occurred significantly less frequently, and CUA promoted the stabilization of the α-helical structure. Further, calculations of the Aβ-42 complex with CUA and Cu²⁺ ions showed that CUA can chelate the Cu²⁺ ion and directly interact with Aβ, which may explain why CUA acts as an inhibitor of Aβ aggregation.     

Cycloascauloside b from <Emphasis Type="Italic">Astragalus caucasicus</Emphasis>

The structure of a new cycloartane glycoside isolated from leaves of Astragalus caucasicus Pall. (Leguminosae) was elucidated using chemical transformations and spectral data. Cycloascauloside B is 20R, 25-epoxy-24S-cycloartan-3β,6α,16β,24-tetraol 3-O-[α-L-rhamnopyranosyl-(1å2)]-β-D-glucopyranoside.     

Synthetic transformations of isoquinoline alkaloids. Synthesis of 1-halo derivatives of <Emphasis Type="Italic">endo</Emphasis>-ethenotetrahydrothebaine and their behavior in the heck reaction

Bromination of endo-ethenotetrahydrothebaine derivatives having a pyrrolidine ring fused at the C⁷-C⁸ bond, namely 1′-substituted 4,5α-epoxy-6α,14-etheno-3,6-dimethoxy-17-methyl-2′,5′,7β,8β-tetrahydro-1′H-14α-pyrrolo[3′,4′:7,8]morphinan-2′,5′-diones, 1′-aryl-4,5α-epoxy-6α,14-etheno-3,6-dimethoxy-17-methyl-2′,5′,7β,8β-tetrahydro-1′H-14α-pyrrolo[3′,4′:7,8]morphinans, and 4,5α-epoxy-6α,14-etheno-2′α-hydroxy-3,6-dimethoxy-17-methyl-1′-phenyl-2′,5′,7β,8β-tetrahydro-1′H-14α-pyrrolo[3′,4′:7,8]morpphinan-5′-one, with molecular bromine in formic acid smoothly afforded the corresponding 1-bromo derivatives. Iodination of 4,5α-epoxy-6α,14-etheno-3,6-dimethoxy-17-methyl-1′-phenyl-2′,5′,7β,8β-tetrahydro-1′H-14α-pyrrolo[3′,4′:7,8]-4,5α-epoxy-6α,14-etheno-3,6-dimethoxy-17-methyl-1′-phenyl-2′,5′,7β,8β-tetrahydro-1′H-14α-pyrrolo[3′,4′:7,8]-morphinan-2′,5′-dione with iodine(I) chloride gave 4,5α-epoxy-6α,14-etheno-1-iodo-3,6-dimethoxy-17-methyl-1′-phenyl-2′,5′,7β,8β-tetrahydro-1′H-14α-pyrrolo[3′,4′:7,8]morphinan-2′,5′-dione. The resulting 1-halo derivatives were brought into the Heck reaction with acrylic acid esters to obtain 1-[(E)-2-(alkoxycarbonyl)ethenyl]-substituted compounds. Demethylation of the 6-methoxy group in 1-bromo-endo-ethenotetrahydrothebaines was accomplished using boron(III) bromide in chloroform.     

Structural and vibrational investigation of 1, 2-<Emphasis Type="Italic">bis</Emphasis>(3, 4-dimethoxyphenyl) ethane-1, 2-dione (Veratril): experimental and theoretical studies

The molecular and crystal structures of 1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-dione (TMBZ = tetramethoxybenzil) were determined by a single-crystal X-ray diffraction, ¹H NMR, and FT-IR spectroscopy. The compound TMBZ (C₁₈H₁₈O₆, M _r = 330.32) crystallized in the orthorhombic Fdd2 space group wherein: a = 39.145(4), b = 18.167(2), c = 4.3139(5) Å and β = 90°, Z = 8. The packing of the molecules in the crystal lattice is stabilized by intermolecular C–H?O contacts in the herringbone arrangement. The molecular geometry and harmonic frequencies of TMBZ in the ground state were calculated utilizing density functional (B3LYP) method with the 6-311++G(d, p)-basis set. The density functional theory optimized the geometric structure, and vibrational wave numbers of TMBZ in gas phase were compared with the experimental data. A complete assignment of the fundamentals was proposed based on the total energy distribution calculation.     

Structure of aluminum(III) dipivaloylmethanate AlO<Subscript>6</Subscript>C<Subscript>33</Subscript>H<Subscript>57</Subscript>

The structure of aluminum(III) tris-dipivaloylmethanate (Bruker Nonius X8 Apex diffractometer with a 4K CCD detector, λMoK _α, graphite monochromator, T = 150(2) K) is determined, and the synthetic procedure for its preparation is suggested. Crystal data are: C2/c space group, a = 28.1587(12) Å, b = 18.5170(7) Å, c = 21.5332(8) Å, β = 97.573(1)°, V = 11129.8(8) ų, Z = 12, d _x = 1.033 g/cm³, R = 6.93. The complex has a molecular structure; the aluminum atom is octahedrally surrounded by six oxygen atoms of three chelating ligands; Al-O distances are 1.860(2)–1.873(2)0A; O-Al-O angles fall within 88.08(9)–91.96(10)° and 177.93(9)–179.83(14)°. The known crystal packings of metal tris-dipivaloylmethanates are analyzed. Three types of the arrangement of the molecules in the crystals denoted as α, β, and γ are identified.     

Crystal and molecular structures of two modifications of a chelate compound of Pb[(<Emphasis Type="Italic">iso</Emphasis>-C<Subscript>4</Subscript>H<Subscript>9</Subscript>)<Subscript>2</Subscript>PS<Subscript>2</Subscript>]<Subscript>2</Subscript>

A chelate compound Pb[(iso-C₄H₉)₂PS₂]² is synthesized. Using X-ray diffraction data, the crystal structures of two modifications of this compound are determined (X8 APEX diffractometer, MoK _α radiation, 14169 F _hkl , R = 0.0480 for the low temperature α-form and 6261 F _hkl , R = 0.0387 for the β-form studied at ambient temperature). The crystals are triclinic: a = 11.047(2) Å, b = 14.486(3) Å, c = 32.048(6) Å; α = 91.30(3)°, β = 99.73(3)°, γ = 101.61(3)°, V = 4942.9(17) ų, Z = 8, ρ_calc = 1.682 g/cm³ (α-modification) and a = 11.2124(5) Å, b = 14.6989(7) Å, c = 17.1644(6) Å; α = 109.393(1)°, β = 94.989(2)°, γ = 101.649(1)°, V = 2576.83(19) ų, Z = 4, ρ_calc = 1.613 g/cm³ (β-modification), space group \(P\bar 1\) for both polymorphs. The structures are molecular, coordination cores of PbS₄ are tetragonal pyramids with Pb atoms in the vertices and S atoms in the base. In both structures intermolecular Pb...S contacts yield supramolecular ensembles comprising by four molecules, where PbS₄₊₂ cores form planar aggregates of edge-sharing octahedra. The ensembles are joined by weak intermolecular S...S interactions resulting in the development of polymeric chains along the a axis.     

Synthesis and characterization of a new monophosphate (C<Subscript>6</Subscript>H<Subscript>16</Subscript>N<Subscript>2</Subscript>)(H<Subscript>2</Subscript>PO<Subscript>4</Subscript>)<Subscript>2</Subscript>

Chemical preparation, crystal structure, and NMR spectroscopy of a new trans-2,5-dimethylpiperazinium monophosphate are given. This new compound crystallizes in the triclinic system, with the space group P-1 and the following parameters: a = 6.5033(3), b = 7.6942(4), c = 8.1473(5) Å, α = 114.997(3), β = 92.341(3), γ = 113.136(3), V = 329.14(3) ų, Z = 1, and D_x = 1.565 g cm^?3. The crystal structure has been determined and refined to R = 0.030 and R _w(F ²) = 0.032 using 1558 independent reflections. The structure can be described as infinite [H₂PO₄] _n ^n? chains with (C₆H₁₆N₂)²⁺ organic cations anchored between adjacent polyanions to form columns of anions and cations running along the b axis. This compound has also been investigated by IR, thermal, and solid-state, ¹³C and ³¹P MAS NMR spectroscopies and Ab initio calculations.     

Synthesis,crystal structure of new linear trinuclear isovalence Co(II)([Co<Subscript>3</Subscript>(H–L)<Subscript>2</Subscript>(L)<Subscript>2</Subscript>]), and visualizing intermolecular interactions with Hirshfeld surface method

S-allyl-β-N-[(2-hydroxyphenyl)methylene]hyrazinecarbodithioate) (1, H₂L), the Schiff base of dithiocarbazate with unsaturated allyl substitution, can act as a new tridentate SNO ligand H₂–L and react with cobalt(II) nitrate hexahydrate to form the novel linear trinuclear isovalence Co(II) complex, [Co₃(H–L)₂(L)₂] 2C₂H₅OH (2). The compounds were characterized by elemental analysis, infrared, and ultraviolet spectroscopy. Compound 2 was also characterized by single-crystal X-ray analysis and crystallizes in the orthorhombic space group, Pbcn, with a = 30.643(1) Å, b = 9.118(4) Å, c = 19.017(7) Å, α = β = γ = 90°, V = 5312.95 Å³, Z = 4, and R ₁ = 0.0790, (wR ₂) = 0.1223. The six-coordinate central Co(II) atom is bonded to two deprotonated metal-containing ligands. The terminal Co(II) atoms are in a square planar SNON four-coordinate environment and connected to the central Co(II) by N-atoms from the ligand backbone. For quantifying the intermolecular interactions in crystal lattice, the new d _norm surface and the breakdown of fingerprint plots have been used for visualizing and exploring the compound 2.     

Synthesis,spectroscopic characterization,crystal structures,and theoretical studies of (<Emphasis Type="Italic">E</Emphasis>)-2-(2,4-dimethoxybenzylidene)thiosemicarbazone and (<Emphasis Type="Italic">E</Emphasis>)-2-(2,5-dimethoxybenzylidene)thiosemicarbazone

Two thiosemicarbazones, (E)-2-(2,4-dimethoxybenzylidene)thiosemicarbazone (24-MBTSC (1)) and (E)-2-(2,5-dimethoxybenzylidene)thiosemicarbazone (25-MBTSC (2)), derived from 2,4-dimethoxybenzaldehyde and 2,5-dimethoxybenzaldehyde, respectively, with thiosemicarbazide have been synthesized and their structures were characterized by elemental analyses, FT-IR, ¹H NMR spectroscopy, and X-ray single-crystal diffraction analysis. Molecular orbital calculations have been carried out for 1 and 2 by using an ab initio method (HF) and also density functional method (B3LYP) at 6-31G basis set. Compound 1 crystallizes in the monoclinic system, space group P2₁/c, with a = 8.1342(5) Å, b = 18.1406(10) Å, c = 8.2847(6) Å, β = 109.7258(17)°, V = 1150.75(12) Å³, and Z = 4, whereas compound 2 crystallizes in the orthorhombic system, space group Pbca, with a = 11.0868(6) Å, b = 13.1332(6) Å, c = 15.9006(8) Å, V = 2315.2(2) Å³, and Z = 8. The compounds 1 and 2 displays a trans-configuration about the C=N double bond.     

Crystallographic and conformational analysis of (<Emphasis Type="Italic">E</Emphasis>)-2-isopropyl-4-(<Emphasis Type="Italic">p</Emphasis>-tolyldiazenyl)phenol

The molecular and crystal structures of the title compound, C₁₆H₁₈N₂O, were characterized and determined by single crystal X-ray diffraction method in addition to spectroscopic means such as IR, UV–VIS and ¹H NMR. The compound crystallizes in orthorhombic space group P bca, with a = 9.3350(5) Å, b = 23.4878(13) Å, c = 26.5871(12) Å, Z = 16, D _calc. = 1.1591(1) g/cm³, μ (MoK_α) = 0.073 mm^?1. Monomers of the compound in the crystal structure are linked into C(7) and C(8) chains generated by translation along the [1 0 0] direction with the aid of O–H···N type H-bonds which serve to the stabilization of periodic organization of the molecules beside major and minor component in the disordered azo fragment. In order to describe conformational flexibility and the crystal packing effects on the molecular conformation, potential barriers regarding the rotation along both Ar–N bonds were calculated by varying the related torsional degrees of freedom in every 10° ranging from ?180° to +180° via quantum chemical calculations at DFT/B3LYP level.     

Tetrakis [<Emphasis Type="Italic">N</Emphasis>-(2-pyridyl) sulfonamide] di palladium: synthesize,X-ray diffraction,antibacterial properties and as a novel binuclear Pd-complex for coupling reactions

The N-(2-pyridyl) 4-toluene sulfonamide as a free ligand (PTS) was prepared from the reaction of 2-amino pyridine and 4-toluenesulfonyl chloride in the presence of potassium hydroxide solution 1 M as a base and THF was used as a solvent. The complex tetrakis [N-(2-pyridyl) sulfonamide] di palladium (1) (Pd₂L₄) was also prepared from the reaction of PdCl₂(CH₃CN)₂ using (PTS) in the presence of NaOH 0.5 M and its application in Heck and Suzuki reactions. This complex consists of a binuclear unit consisting of four ligands linked to two palladium atoms via the nitrogen of pyridines ring and the nitrogen of sulfonamides. These compounds were confirmed by FT-IR and ¹H NMR spectroscopy. Moreover, the structure of the complex was studied by single-crystal X-ray diffraction method. The green crystal of Pd₂L₄ [L = N-(2-pyridyl) sulfonamide](1) was found to crystallize in the monoclinic space group C2/c with a = 18.2013(19), b = 19.7544(16), c = 17.2898(19) Å, β = 120.179(8) °; V = 5374.0(9) ų; Z = 4; the final R ₁ = 0.0894, wR ₂ = 0.1754 (or 5867 observed reflections and 318 variables). The Pd–Pd distance is 2.567(2) Å. In addition, PTS and Pd₂L₄ presented different antibacterial behaviors. The free ligand was active against Staphylococcus aureus and Escherichia coli, but the complex was inactive against them.     

Electron diffraction and quantum-chemical studies of the molecular structure of 2-methylbenzenesulfochloride

A combined electron diffraction and quantum-chemical (MP2/6-31G**) study of the molecular structure of 2-methylbenzenesulfochloride at 336(5) K was carried out. It was found that the gas phase contained only one conformer, C ₁. The following structural parameters were obtained: r _h1(C-H)_av = 1.095(8) Å, r _h1(C-C)_Ph = 1.402(4) Å, r _h1(C_Ph-C_meth) = 1.507(13) Å, r _h1(C_Ph-S) = 1.763(6) Å, r _h1(S=O) = 1.418(4) Å, r _h1(S-Cl) = 2.048(5) Å, ∠(H-C-H)_meth/av = 107.3(96)°, ∠(Cl-S-O)_av = 106.4(3)°, ∠C_Ph-S-Cl = 100.8(9), ∠O=S=O = 120.8(10)°. The C_C-C_S-S-Cl torsion angle that defines the position of the S-Cl bond relative to the plane of the benzene ring is 75.6(20)°. The B3LYP/6-311+G** calculated barriers of internal rotation of the methyl and sulfochloride groups are 1.2 kcal/mol and V ₀₁ = 10.2 (V ₀₂ = 4.1) kcal/mol, respectively.     

Synthesis,crystal structure,and hydrogen-bonded displacive-type structural phase transition of guanidine dichloroacetate

Guanidine dichloroacetate was synthesized and separated as crystals. Differential scanning calorimetry (DSC) measurement shows that this compound undergoes a reversible phase transition at about 275 K with a heat hysteresis of 28 K. Step-like dielectric anomaly observed at 274 K further confirms the phase transition. The single-crystal X-ray diffraction data suggested that these was a transition from a room-temperature phase with the space group of P2₁/n (a = 8.030(5), b = 12.014(9), c = 8.124(6) Å, β = 96.089(1)°, V = 779.3(1) Å³, and Z = 4) to a low-temperature one with the space group of P2₁/c (a = 7.941(2), b = 11.828(3), c = 10.614(2) Å, β = 130.985(1)°, V = 752.6(3) Å³, and Z = 4). The displacements of hydrogen bonds induce the structure phase transition.     

Synthesis,crystal structure,and thermodynamics of a high-nitrogen copper complex with <Emphasis Type="Italic">N</Emphasis>, <Emphasis Type="Italic">N</Emphasis>-bis-(1(2)H-tetrazol-5-yl) amine

A new high-nitrogen complex [Cu(Hbta)₂]·4H₂O (H₂bta = N,N-bis-(1(2)H-tetrazol-5-yl) amine) was synthesized and characterized by elemental analysis, single crystal X-ray diffraction and thermogravimetric analyses. X-ray structural analyses revealed that the crystal was monoclinic, space group P2(1)/c with lattice parameters a = 14.695(3) Å, b = 6.975(2) Å, c = 18.807(3) Å, β = 126.603(1)°, Z = 4, D _c = 1.888 g cm^?3, and F(000) = 892. The complex exhibits a 3D supermolecular structure which is built up from 1D zigzag chains. The enthalpy change of the reaction of formation for the complex was determined by an RD496–III microcalorimeter at 25 °C with the value of ?47.905 ± 0.021 kJ mol^?1. In addition, the thermodynamics of the reaction of formation of the complex was investigated and the fundamental parameters k, E, n, \( \Updelta S_{ \ne }^{{{\uptheta}}} \), \( \Updelta H_{ \ne }^{{{\uptheta}}} \), and \( \Updelta G_{ \ne }^{{{\uptheta}}} \) were obtained. The effects of the complex on the thermal decomposition behaviors of the main component of solid propellant (HMX and RDX) indicated that the complex possessed good performance for HMX and RDX.     

A novel metal chalcogenide: HgCd<Subscript>4</Subscript>S<Subscript>5</Subscript>

A novel metal chalcogenide HgCd₄S₅ (1) was synthesized from solid-state reactions and structurally characterized. Compound 1 crystallizes in the space group C222₁ of the orthorhombic system with four formula units in a cell: a = 12.5661(5) Å, b = 7.2551(5) Å, c = 10.7520(7) Å, V = 980.2(1) ų, Cd₄HgS₅, M _r = 810.49, D _c = 5.492 g/cm³, S = 1.010, μ(MoK _α) = 25.128 mm^?1, F(000) = 1408, R = 0.0611 and wR = 0.1495. Compound 1 is characterized by a 3-D cadmium sulfide framework structure with the infinite mercury sulfide chains located in the cavities.     

A New Sandwich Polyoxometalate Constructed from a Zn<Stack><Subscript>6</Subscript><Superscript>12+</Superscript></Stack> Hexagon Cluster Sandwiched by Two B-α-[BiW<Subscript>9</Subscript>O<Subscript>33</Subscript>]<Superscript>9−</Superscript>

A new sandwich polyoxometalate Na₄Zn₂[Zn₂(H₂O)₁₀(ZnCl)₆(B-α- BiW₉O₃₃)₂] · 40.5H₂O (1) has been obtained in aqueous solution and characterized by IR, UV, element analysis, TG and single-crystal X-ray analysis. Polyoxoanion 1 is composed of a Zn ₆ ¹²⁺ hexagon sandwiched by two [BiW₉O₃₃]^9? units, which is firstly observed in tungstobismutate. The crystal data for compound 1: Triclinic, space group P–1, a = 15.426(3) Å, b = 15.467(3) Å, c = 15.526(3) Å, α = 74.24(3)°, β = 64.37(3)°, γ = 60.73(3)°, V = 2905.3(1) ų, Z = 1.     

<Emphasis Type="Italic">cis</Emphasis>-Dioxomolybdenum(VI) complexes of sterically encumbered phenol-based tetradentate N<Subscript>2</Subscript>O<Subscript>2</Subscript> ligands: Structural,spectroscopic, and electrochemical studies

Two cis-dioxomolybdenum(VI) complexes [MoO₂L] (L: L ¹, 2 and L: L ², 3) in a phenol-based sterically encumbered N₂O₂ ligand environment have been synthesized, and their crystallographic characterizations are reported. The orange crystals of 2 are monoclinic, space group P2₁/a with unit cell dimensions as a=16.2407(17) Å, b=7.2857(8) Å, c=18.400(2) Å, β=98.002(9)°, Z=4, and d _cal=1.486 g cm^?3. The light orange crystals of 3, however, are orthorhombic, space group, Pbcn, with unit cell dimensions a=8.3110(12) Å, b=12.637(3) Å, c=34.673(5) Å, Z=4, and d _cal=1.187 g cm^?3. The structures were refined by a full-matrix least-squares procedure on F ² to a final R=0.046 (0.055 for 3) using 4944 (3677) all independent data. In both the cases, the Mo atom exists in a distorted octahedral geometry defined by a N₂O₄ donor set, which features a cis-Mo(–O)₂ and a trans-Mo(OPh)₂ arrangement. Compound 2 undergoes a quasireversible one-electron reduction at ?1.3 V vs Ag/AgCl reference due to Mo^VIO₂/Mo^VO₂ electron transfer and thus providing a rare example of steric solution to the comproportionation–dimerization problem encountered frequently in the development of valid biomimetic models for the active sites of oxomolybdenum enzymes.     

Thermodynamic properties of triphenylantimony dibenzoate

The temperature dependence of the heat capacity of triphenylantimony dibenzoate Ph₃Sb(OC(O)Ph)₂ is studied in the range of 6–480 K by means of precision adiabatic vacuum calorimetry and differential scanning calorimetry. The melting of the compound is observed in this temperature range, and its standard thermodynamic characteristics are identified and analyzed. Ph₃Sb(OC(O)Ph)₂ is obtained in a metastable amorphous state in a calorimeter. The standard thermodynamic functions of Ph₃Sb(OC(O)Ph)₂ in the crystalline and liquid states are calculated from the obtained experimental data: C_p^°(T), H°(T)–H°(0), S°(T), and G°(T)–H°(0) for the region from T → 0 to 480 K. The standard entropy of formation of the compound in the crystalline state at T = 298.15 K is determined. Multifractal processing of the low-temperature (T < 50 K) heat capacity of the compound is performed. It is concluded that the structure of the compound has a planar chain topology.