X-Ray diffraction and IR-spectroscopic studies of UO2(n-C3H7COO)2(H2O)2 and Mg(H2O)6[UO2(n-C3H7COO)3]2

Single crystals of UO₂(n-C₃H₇COO)₂(H₂O)₂ (I) and Mg(H₂O)₆[UO₂(n-C₃H₇COO)₃]₂ (II) are synthesized. Their IR-spectroscopic and X-ray diffraction studies are performed. Crystals I are monoclinic, a = 9.8124(7) Å, b = 19.2394(14) Å, c = 12.9251(11) Å, β = 122.423(1)°, space group P2₁/c, Z = 6, and R = 0.0268. Crystals II are cubic, a = 15.6935(6) Å, space group $Pa\bar 3$ , Z = 4, and R = 0.0173. The main structural units of I and II are [UO₂(C₃H₇COO)₂(H₂O)₂] molecules and [UO₂(C₃H₇COO)₃]^? anionic complexes, respectively, which belong to AB ₂ ⁰¹ M ₂ ¹ (I) and AB ₃ ⁰¹ (II) crystal chemical groups of uranyl complexes (A = UO ₂ ²⁺ , B ⁰¹ = C₃H₇COO^?, and M ¹ = H₂O). A crystal chemical analysis of UO₂ L ₂ · nH₂O compounds, where L is a carboxylate ion, is performed.     

Crystal structure of [N-(2-carbamoylethyl)iminodiacetato]-aqua(1,10-phenanthroline)cobalt(III) chloride 3.5 hydrate

The crystal structure of [N-(2-carbamoylethyl)iminodiacetato]-aqua(1,10-phenanthroline) cobalt(III) chloride 3.5 hydrate [Co(Ceida)(H₂O)(Phen)Cl · 3.5H₂O (I) has been determined by ¹H NMR technique and X-ray diffraction analysis. The crystals are triclinic, a = 10.352(2) Å, b = 12.534(3) Å, c = 20.665(4) Å, α = 107.02(3)°, β = 92.22(3)°, γ = 111.63(3)°, Z = 4, space group $P\bar 1$ , andR = 0.0438. The unit cell involves two crystallographically nonequivalent but virtually identical cationic complexes [Co(Ceida)(H₂O)(Phen)]⁺. The tridentate chelate ligand Ceida ^2? (N + 2O) occupies the face in the coordination octahedron of the Co atom, and the propionamide group remains free. The mean bond lengths are as follows: Co-O_Ceida, 1.876 Å; Co-N_Ceida, 1.981 Å; Co-N_Phen, 1.945 Å; and Co-O_w, 1.915 Å. In the structure, the arrangement of cationic complexes and certain water molecules exhibits a pseudosymmetry (the 2₁ axis). The cations and water molecules are located in the layers, and the anions are arranged between the layers. The structural elements are linked by hydrogen bonds and van der Waals interactions.     

Crystal structure analysis of (Morpholino)(Phenyl)(Dicyclohexylamino) phosphiniminocyclotrithiazene

The title compound (C₆H₅)(C₄H₈NO)[N(C₆H₁₁)₂]P=N-S₃N₃ crystallizes in a triclinic crystal system with unit cell parameters a = 9.8884(4) Å, b = 10.6075(1) Å, c = 14.2276(2) Å, α = 78.14(3)°, β = 79.31(1)°, λ = 65.42(2)°, V = 1319.44(6) ų, Z = 2, and space group $P\bar 1$ . The cyclotrithiazene ring adopts a “distorted chair” conformation with a deviation of 0.682(7) Å for the tricoordinated sulfur atom. Remarkably, a short exocyclic S-N bond length 1.489(4) Å along with a large P-N-S angle 136.2(3)° are observed with the iminophosphorus moiety.     

Carbon–hydrogen and carbon–phosphorus bond cleavage in a triruthenium cluster complex containing dppm: The crystal and molecular structures of Ru3(CO)6{μ 3-OPPh2 C2H(C6H4)PPhCH2PPh}(μ 3-OPPh2)Ph and Ru3(CO)6 {μ-OPPh2C2H(C6H4)PPhO}(μ-PPh2)(μ-PPh2O)

The crystal and molecular structures of Ru₃(CO)₆{μ ₃-OPPh₂C₂H(C₆H₄)PPhCH₂PPh}-(μ ₃-OPPh₂)Ph (1) and Ru₃(CO)₆{μ-OPPh₂C₂H(C₆H₄)PPhO}(μ-PPh₂)(μ-PPh₂O) (2) have been determined by single crystal X-ray diffraction. Both complexes contain oxygen atoms oxidatively inserted into phosphorus–ruthenium bonds, and unique σ/π multidentate ligands formed from C $---{\text{H}}$ H and C $--$ P bond cleavage in bis(diphenylphosphino)acetylene and bis(diphenylphosphino)methane. Complex 1 crystallized in the triclinic space group ${\bar 1}$ , with lattice parameters a = 11.642(4) Å, b = 15.018(5) Å, c =16.587(5) Å, α = 2.48(3)°, β = 76.47(2)°, γ = 70.35(3)°, V = 2651.1(15) ų, Z = 2. Complex 2 crystallized in the centered monoclinic space group, C2/c, with lattice parameters a = 34.467(4) Å, b = 14.274(2) Å, c = 23.258(3) Å, β = 5.29(1)°, V = 11394(3) ų, Z = 8.     

Crystal structures and properties of isomers of 3,5-dinitro-(4-acetylphenyl)aminobenzoyl (p-bromophenyl)amide

The para and ortho isomers of 3,5-dinitro-(4-acetylphenyl)aminobenzoyl (p-bromophenyl)amide (I and II, respectively) are synthesized, and their physicochemical properties and structure are investigated. The para isomer I has a higher melting temperature and is less soluble in organic solvents as compared to the ortho isomer II. The electronic absorption spectra indicate that absorption for molecule I occurs at longer wavelengths than for molecule II. A correlation between the physicochemical properties and the crystal structures of compounds I and II is revealed. Crystals I · 0.5C₆H₆ are triclinic; the unit cell parameters are a = 11.760(2) Å, b = 13.958(3) Å, c = 15.012(3) Å, α = 108.01(2)°, β = 103.95(1)°, γ = 92.00(2)°, V = 2258.3(8) ų, space group $P\bar 1$ , and Z = 4. Crystals II are monoclinic; the unit cell parameters are a = 9.302(2) Å, b = 16.380(3) Å, c = 13.480(3) Å, β = 100.09(3)°, V = 2022.1(7) ų, space group P2₁/c, and Z = 4. Structures I · 0.5C₆H₆ and II are characterized by intramolecular and intermolecular hydrogen bonds.     

Molecular and crystal structure of the echinochrome complex with dioxane

The molecular and crystal structures of a complex of echinochrome (2,3,5,6,8-pentahydroxy-7-ethyl-1,4-naphthoquinone) with dioxane are determined. The molecular complex 2(C₁₂H₁₀O₇) · C₄H₈O₂ crystallizes in the form of dark red transparent thin plates. The crystal data of the compound are as follows: a = 4.563(1) Å, b = 6.382(1) Å, c = 22.812(4) Å, α = 91.955(5)°, β = 90.408(5)°, γ = 104.801(4)°, space group $P\overline 1 $ , and Z = 2. The crystal structure is solved by direct methods and refined to R ₁ = 0.0656 and wR ₂ = 0.1196.     

Stereochemical activity of a lone electron pair in antimony(III) and bismuth(III) chelates: Crystal structures of Ca[Sb(Edta)]2 ⋅ 8H2O and Ba{[Bi(Edta)] 2H2O ⋅ H2O

The crystal structures of Ca[Sb(Edta)]₂ ? 8H₂O (I) and Ba{ [Bi(Edta)]₂H₂O} ? H₂O (II) are determined by X-ray diffraction. Crystals I are monoclinic, a = 7.132 Å, b = 21.906 Å, c = 10.896 Å, β = 91.13°, Z = 2, and space group P2₁/n. Crystals II are triclinic, a = 8.995 Å, b = 12.750 Å, c = 13.577 Å, α = 77.42°, β = 73.90°, γ = 86.53°, Z = 2, and space group $P\bar 1$ . In structure I, the coordination number of the antimony atom is 6 + LEP (lone electron pair), and the polyhedron is a ψ-pentagonal bipyramid with the lone electron pair at an equatorial position. In structure II, two crystallographically independent complexes Bi(Edta)^? and the coordination water molecule form tetranuclear associates. The environments of two independent bismuth atoms (the coordination number is eight) are similar, and their polyhedra can be described as distorted dodecahedra. The effect of the lone electron pair on the structures of polyhedra of antimony and bismuth is discussed.     

Crystal structures of mixed compounds Cu(2)Gly(D-Ser)(L-Ser)2 and Cu(2)Gly 3(L-Ser)

-The crystal structures of mixed coordination compounds, Cu(2)Gly(D-Ser)(L-Ser)₂(I) and Cu(2)Gly ₃(L-Ser)(II), which contain the amino acid residues of glycine (Gly) and serine (Ser) in the 1: 3 and 3: 1 ratio, respectively, are studied by electron diffraction. Crystals I and II are triclinic, Z = 1, and space group P1. For I, a = 8.96(2) Å, b = 9.66(2) Å, c = 5.07(2) Å, α = β = 90°, and γ = 92.8(3)°. For II, a = 8.37(2) Å, b = 9.65(2) Å, c = 5.06(2) Å, α = β = 90°, and γ = 92.8(3)°. Compounds I and II have layered structures that are based on the CuGly(L-Ser) fragment. Structures I and II differ mainly in their interlayer spacing and configuration of the interlayer space.     

Synthesis and crystal structures of lithium polyphosphates, LiPO3, Li4H(PO3)5, and LiMn(PO3)3

Polyphosphates of the compositions LiPO₃, Li₄H(PO₃)₅, and LiMn(PO₃)₃ were prepared by the reactions of Li₂CO₃ and MnO₂ with melts of polyphosphoric acids at 240–350°C, and their crystal structures were established. The unit-cell parameters are a = 13.074 Å, b = 5.4068 Å, c = 16.452 Å, β = 99.00°, sp. gr. P2/n; a = 6.6434 Å, b = 7.253 Å, c = 11.399 Å, α = 72.60°, β = 83.36°, γ = 85.32°, sp. gr.; $P\bar 1$ ; a = 8.364 Å, b = 8.561 Å, c = 8.6600 Å, sp. gr. P2₁2₁2₁, respectively. The influence of cations on the structures of the compounds is discussed.     

Crystal structure and vibrational spectra of two cadmium halide complexes with 1,2-Bis[2-(Diphenylphosphinylmethyl)phenoxy]ethane (L 1) and 1,3-bis[2-diphenylphosphinylmethyl)phenoxy]propane (L), CdBr2 ⋅ L 1 and CdI2 ⋅ L

Two cadmium halide complexes with 1,2-bis[2-(diphenylphosphinylmethyl)phenoxy]ethane (L ¹) and 1,3-bis[2-(diphenylphosphinylmethyl)phenoxy]propane (L), namely, CdBr₂ ? L ¹ (I) and CdI₂ ? L(II), have been synthesized. An analysis of their vibrational spectra is carried out. The structures of I and II are determined by X-ray diffraction. Crystals I are monoclinic, a = 31.562(6) Å, b = 13.548(3) Å, c = 18.733(4) Å, β = 91.28(3)°, space group C2/c, Z = 8, and R = 0.051 for 3776 reflections. Crystals II are triclinic, a = 11.803(2) Å, b = 12.554(3) Å, c = 14.686(3) Å, α = 90.30(3)°, β = 90.29(3)°, γ = 106.08(3)°, space group $P\bar 1$ , Z = 2, and R = 0.043 for 4916 reflections. Compounds I and II exhibit a polymeric chain structure. The potentially tetradentate ligands L ¹ and L are coordinated to the metal atoms only through two phosphoryl oxygen atoms and fulfill the bidentate bridging function. The environment of the Cd atom is completed to the tetrahedral coordination by two Br atoms in complex I and two I atoms in complex II. The mean distances are as follows: Cd-Br, 2.526(2) Å; Cd-I, 2.695 Å; and Cd-O, 2.243(8) Å in I and 2.210(4) Å in II. The L ¹ and L ligands in complexes I and II adopt an S-shaped conformation.     

X-ray mapping in heterocyclic design: VIII. Synthesis and X-ray diffraction study of dimethyl 3-(p-chlorobenzoyl)-5-chloroindolizine-1,2-dicarboxylate and the product of its cyclization 1,2-bis(carbomethoxy)-6-chloro-3H-isoquinolino[1,2,3-d,c]indolizine-3-one

Dimethyl 3-(p-chlorobenzoyl)-5-chloroindolizine-1,2-dicarboxylate, C₁₉H₁₃Cl₂NO₅, (2) and the product of its cyclization 1,2-bis(carbomethoxy)-6-chloro-3H-isoquinolino[1,2,3-d,c]indolizine-3-one, C₁₉H₁₂ClNO₅, (3) are synthesized, and their molecular and crystal structures are determined by the single-crystal X-ray diffraction technique. Crystals 2 are monoclinic, a = 9.627(3) Å, b = 6.646(2) Å, c = 28.500(9) Å, β = 98.72(2)°, Z = 4, and space group P2₁/c. Crystals 3 are monoclinic, a = 7.048(4) Å, b = 10.582(4) Å, c = 21.760(7) Å, β = 97.23(4)°, Z = 4, and space group P2₁/c. The structures are solved by the direct method and refined in the anisotropic approximation by the full-matrix least-squares procedure to R = 0.0504 and 0.0510 for 2 and 3, respectively. In both structures, the intramolecular and intermolecular contacts involving the C, H, and O atoms are observed.     

X-ray mapping in heterocyclic design: XI. X-ray diffraction study of 1-benzoyl-3-(pyridin-2-yl)-thiocarbamide and the product of its reaction with oxidants

The structures of 1-benzoyl-3-(pyridin-2-yl)-thiocarbamide C₁₃H₁₁N₃O₁S₁ (I) and 2-benzoylimino-1,2,4-thiadiazole[2,3-a]pyridine C₁₃H₉N₃O₁S₁ (II) are studied by X-ray diffraction. Structures I [a = 5.342(4) Å, b = 20.428(5) Å, c = 11.784(4) Å, β = 90.55(2)°, Z = 4, space group P2₁/n) and II [a = 6.258(6) Å, b = 18.068(14) Å, c = 10.185(10) tA, β = 95.45(8)°, Z = 4, space group P2₁/n) are determined by direct methods and refined to R ₁ = 0.0673 and 0.0802, respectively. In structure I, both intramolecular (involving the O atom) and intermolecular (involving the N and S atoms) hydrogen bonds are observed. The latter bonds are responsible for the formation of centrosymmetric molecular dimers. In structure II, a short intramolecular contact (2.168 Å) is observed between the S and O atoms.     

Structure of tetrasodium nitrilotrimethylenetriphosphonatozincate tridecahydrate Na4[N(CH2PO3)3Zn] · 13H2O,an inhibitor of scaling and corrosion

The structure of a crystal hydrate of tetrasodium nitrilotrimethylenetriphosphonatozincate Na₄[N(CH₂PO₃)₃Zn] · 13H₂O is determined (space group $P\bar 1$ , Z = 2, a = 11.2208(2) Å, b = 11.2666(3) Å, c = 12.3286(3) Å, α = 108.455(2)°, β = 97.168(2)°, and = 117.103(2)°, Z = 2). The complex has a chelate structure; the inner coordination sphere includes three five-membered N-C-P-O-Zn cycles, which share the Zn-N bond. An oxygen atom of a neighboring complex completes a distorted trigonal bipyramidal coordination of the Zn atom.     

Synthesis and structural study of 1-(N,N-diethylamino)-2,2-bis(2-nitrophenylthio)ethene

The synthesis, variable temperature NMR spectra, and crystal structures of two crystalline forms, 2a and 2b, of the enamine 1-(N,N-diethylamino)-2,2-bis(2-nitrophenylthio)ethene have been obtained. Both forms crystallize in the monoclinic space group P2₁/a. The two phases have similar molecular structures but possess different intermolecular C–H······O hydrogen bonding interactions. Both forms exhibit disorder within the NEt₂ fragment at 298 K: sufficient disorder persisted with 2a (orange needles) down to 100 K to make the geometric parameters pertaining to the enamine fragment unreliable. The disorder was effectively eliminated on cooling 2b down (red colored blocks) to 150 K. Cell dimensions for the 2a-phase are at 100 K: a = 11.1030(4) Å, b = 15.1325(7) Å, c = 12.4504(7) Å, β = 114.606(3)°, while for the 2b-phase at 150 K, a = 15.5206(4) Å, b = 7.6958(2) Å, c = 15.7137(3) Å, β = 92.580(7)°. The C–N bond length in the β-form at 150 K of 1.335(3) Å indicates considerable double bond character: the rotational barrier of the C–N bond in CDCl₃ was calculated to be 52.4 kJ mol^?1.     

Synthesis,spectroscopic characterization and crystal structure of 5-bromo-1-(2-cyano-pyridin-4-yl)-1H-indazole-3-carboxylic acid diethylamide

The title compound 5-bromo-1-(2-cyano-pyridin-4-yl)-1H-indazole-3-carboxylic acid diethylamide, C₁₈H₁₆BrN₅O, is prepared from 5-bromoindazole-3-carboxylic acid methylester. N ¹-arylation is carried out with 4-chloro-2-cyanopyridine and the resulting product is converted to diethylamide by reacting with thionyl chloride and diethylamine. The structure is identified from its FT-IR, ¹H NMR, ¹³C NMR spectroscopy, elemental analysis data and unambiguously confirmed by single crystal X-ray diffraction studies. There are two symmetry independent molecules in the asymmetric unit with no significant differences in bond lengths and angles. The title compound crystallizes in the triclinic system, space group \(P\bar 1\) , with a = 11.2330(2); b = 11.6130(2); c = 15.4710(3) Å, α = 92.515(1)°; β = 109.956(1)°; γ = 107.199(1)°; V = 1788.45(6)ų and z = 4. An intramolecular C-H…N hydrogen bond forms an S(6) ring motif in one of the unique molecules. In the crystal, two molecules are linked about a center of inversion by C-H…O hydrogen bonded dimers generating an R ₂ ² (16) ring motif. The crystal packing is stabilized by C-H…N, C-H…O hydrogen bonds and π…π stacking interactions.     

Reaction of 2,3-bis(diphenylphosphino)maleic acid-thioanhydride (bmata) with PhCCo3(CO)9. X-ray diffraction structure of {\text{Co}}_{\text{3}} ({\text{CO)}}_{\text{6}} [\mu _2 ,\eta ^2 ,\eta ^1 {\text{ - C(Ph)}}{\text{(O)](}}\mu _2 {\text{ - PPh}}_{\text{2}} )

The benzylidyne-capped cluster PhCCo₃(CO)₉ (1) reacts with the diphosphine ligand 2,3-bis(diphenylphosphino)maleic acid-thioanhydride (bmata) to afford ultimately the new cluster ${\text{Co}}_{\text{3}} ({\text{CO)}}_{\text{6}} [\mu _2 ,\eta ^2 ,\eta ^1 {\text{ - C(Ph)}}{\text{(O)](}}\mu _2 {\text{ - PPh}}_{\text{2}} )$ (3) in low yield under thermolysis conditions or by Me₃NO activation of PhCCo₃(CO)₉. The intermediate cluster compound PhCCo₃(CO)₇(bmata) (2) has been confirmed by IR spectroscopy and is shown to give ${\text{Co}}_{\text{3}} ({\text{CO)}}_{\text{6}} [\mu _2 ,\eta ^2 ,\eta ^1 {\text{ - C(Ph)}}{\text{(O)](}}\mu _2 {\text{ - PPh}}_{\text{2}} )$ upon heating. Cluster 3 has been isolated and characterized in solution by IR and ³¹P NMR spectroscopies, and the solid-state structure of 3 was established by X-ray diffraction analysis. ${\text{Co}}_{\text{3}} ({\text{CO)}}_{\text{6}} [\mu _2 ,\eta ^2 ,\eta ^1 {\text{ - C(Ph)}}{\text{(O)](}}\mu _2 {\text{ - PPh}}_{\text{2}} )$ crystallizes in the triclinic space group P ${\bar 1}$ , a = 11.6053(8) Å, b = 11.8438(8) Å, c = 15.099(1) Å, α = 105.169(5)^○, β = 90.530(5)^○, γ = 104.976(6)^○, V = 1928.5(2) ų, Z = 2, and d _calc = 1.578; R = 0.0442, R _w = 0.481 for 2591 observed reflections with I > 3σ (I). The cyclic voltammetric properties of 3 have been investigated and are contrasted with the related bma-derived cluster ${\text{Co}}_{\text{3}} ({\text{CO)}}_{\text{6}} [\mu _2 ,\eta ^2 ,\eta ^1 {\text{ - }}{\text{(O)OC(O)](}}\mu _2 {\text{ - PPh}}_{\text{2}} )$ .     

Molecular and crystal structures of 1R,4R-cis-2-(4-hydroxybenzylidene)-p-menthan-3-one

The molecular and crystal structures of chiral 1R, 4R-cis-2-(4-hydroxybenzylidene)-p-menthan-3-one (I) are determined by X-ray diffraction analysis. Single crystals of I are orthorhombic, a = 8.997(2) Å, b = 11.314(2) Å, c = 14.847(3) Å, V = 1511.3(5) ų, Z = 4, and space group P2₁2₁2₁. The cyclohexanone ring in molecules of compound I has a chair-type conformation with the axial methyl and equatorial isopropyl groups. The enone and benzylidene groupings are nonplanar. The considerable distortion of bond angles at the sp ² carbon atoms of the benzylidene grouping and the puckering parameters of the cyclohexanone ring in the structure of I are close to those observed for the previously studied compound with the p-methoxy substituent. In the crystal, molecules I are linked by very short intermolecular hydrogen bonds .     

Crystal structure of (3-aminopropionato)bis(ethylenediamine)cobalt(III) catena-di(μ-chloro)dichloroplumbate(II) monohydrate

Crystals of [Co(C₂H₈N₂)₂(C₃H₆NO₂)]PbCl₄ · H₂O [a = 7.627(1) Å, b = 11.238(1) Å, c = 11.444(1) Å, α = 99.125(1)°, β = 103.80(1)°, γ = 94.739(1)°, V = 933.09(1) ų, Z = 2, and space group $P\bar 1$ ] contain the octahedral PbCl₆ groups that share edges to form infinite [Cl₂Pb(μ-Cl)₂] _n ²ⁿ chains, in which the terminal Cl atoms occupy the cis positions. The Pb-Cl bond lengths are 2.763(1)–3.180(3) Å. In the discrete cationic complexes, the Co atom is coordinated by two ethylenediamine molecules and the 3-aminopropionate anion. In the enantiomeric complex with the Δ absolute configuration, the ethylenediamine rings have the λ and δ configurations and the aminopropionate ring has the λ configuration.     

X-ray diffraction investigation of trans-2,8-dihydroxy-2,8-diphenyl-4,4′,6,6′,10,10′, 12,12′-octamethylcyclohexasiloxane and trans-2,8-dihydroxy-2,4,4′,6,6′,8,10,10′, 12,12′-decamethyl-5-carbahexacyclosiloxane

The crystal structures of two organosilicon compounds are studied by X-ray diffraction. Crystals of trans-2,8-dihydroxy-2,8-diphenyl-4,4′,6,6′,10,10′,12,12′-octamethylcyclohexasiloxane, C₂₀H₃₆O₈Si₆, (I) are triclinic; at 110 K, a = 11.476(1) Å, b = 12.106(1) Å, c = 13.636(1) Å, α = 94.337(1)°, β = 112.669(1)°, γ = 112.216(1)°, space group $P\bar 1$ , Z = 2, and R = 0.057 for 5069 reflections with F > 4σ(F). Crystals of trans-2,8-dihydroxy-2,4,4′,6,6′,8,10,10′,12,12′-decamethyl-5-carbahexacyclosiloxane, C₁₁H₃₄O₇ Si₆, (II) are tetragonal; at 293 K, a = b = 15.487(3) Å, c = 11.364(3) Å, space group P4₂/n, Z = 4, and R = 0.055 for 955 reflections with F > 4σ (F). It is found that the structure of compound I, in which the substituents at the Si(1) atom differ in volume and inductive effect, contains two crystallographically independent molecules with different conformations of the hexasiloxane ring. In structure II, the oxygen atom and the methylene group are statistically disordered as a result of the location of the molecule at the center of symmetry. Although the SiCSi angle [122.1(1)°] differs noticeably from the tetrahedral angle, its value is characteristic of cyclohexasiloxanes and is not related to the disorder.     

Structure of a liquid crystal of 4-cyano-4′-n-octyloxybiphenyl

The structure of a liquid crystal of 4-cyano-4′-n-octyloxybiphenyl (C₂₁H₂₅NO) is determined by X-ray diffraction analysis. The compound crystallizes in the triclinic crystal system with unit cell parameters a = 7.322(1) Å, b = 12.693(3) Å, c = 20.393(2) Å, α = 92.45(1)°, β = 99.96(1)°, γ = 99.35(2)°, and space group $P\bar 1$ . The structure is solved by the direct method and refined to R = 0.057. Two independent molecules are located in the asymmetric unit. No short intermolecular contacts are observed in the crystal packing.