Hydrothermal Synthesis and Characterization of a New Arsenic–Vanadium Compound with a β-[As<Subscript>8</Subscript>V<Subscript>14</Subscript>O<Subscript>42</Subscript>(SO<Subscript>4</Subscript>)]<Superscript>6−</Superscript> anion

A new arsenic vanadium compound (NH₄)₂[N(CH₃)₄]₄[β-As₈V₁₄O₄₂(SO₄)] 1 has been synthesized under hydrothermal conditions and characterized by single crystal X-ray diffraction, IR spectrum, elemental analysis and thermogravimetic (TG) analysis. Compound 1 crystallizes in monoclinic system with space group P2(1)/c, a = 11.4631(5) Å, b = 11.3539(5) Å, c = 24.6265(10) Å, β = 93.6620(10)°, V = 3198.6(2) ų, Z = 2, R1 = 0.0421 and wR2 = 0.1044. The molecule structural analysis reveals that compound 1 has a β-[As₈V₁₄O₄₂(SO₄)]^6? arsenic–vanadium cluster anion.     

Four Mixed 3d-4f 12-Metallacrown-4 Complexes: Syntheses,Structures and Magnetic Properties

The incorporation of Ln^III ions into the 12-metallacrown-4 topology affords the formation of four mixed 3d-4f pentanuclear complexes of compositions [NH(C₂H₅)₃]{[Ln(OAc)₄] [12-MC _Mn ^III _(N)shi-4]}·xH₂O (Ln = Sm (1), Gd (2), Tb (3), Dy (4); x = 0.5 for 1 and 3, x = 0.25 for 2, x = 0 for 4; H₃shi = salicylhydroxamic acid). Compounds 1–4 were obtained from the reactions of H₃shi with Mn(CH₃COO)₂·4H₂O and Ln(NO₃)₃·6H₂O, in the presence of N(C₂H₅)₃. They all contain a crown-like [Mn₄Ln(μ-NO)₄]¹¹⁺ core with four Mn^III atoms being at the rim of the crown and an Ln^III ion occupying the dome of the crown. The peripheral ligation about the core is provided by four η¹:η¹:µ acetate groups. The identity of the Ln^III ions slightly affects the 12-metallacrown-4 frameworks, as demonstrated by the gradual decrease of the distances between the Ln^III ions and the centres of the Mn₄ planes (1.85 Å for 1, 1.81 Å for 2, 1.80 Å for 3, and 1.77 Å for 4). Variable-temperature dc magnetic susceptibility studies were carried out on polycrystalline samples of 1–4. Antiferromagnetic interactions are determined for complexes 1–4.     

Molecular and crystal structure of 15-acetylsongorine and songoramine isolated from <Emphasis Type="Italic">Aconitum szechenyianum</Emphasis> Gay

Two napelline skeletal diterpenoid alkaloids 15-acetylsongorine, C₂₄H₃₃NO₄ I, and songoramine, C₂₂H₂₉NO₃ II, were first isolated from the roots of Aconitum Szechenyianum Gay. The crystal structures were determined by X-ray single-crystal diffraction analysis. The crystal I is the triclinic system with space group P1 having unit cell parameters of a = 9.360(8) Å, b = 11.593(9) Å, c = 11.830(16) Å, α = 113.223(15)°, β = 105.950(16)°, γ = 101.296(12)°, and Z = 2. Hydrogen bonds O–H···O and O–H···N joint the molecules into dimer. The crystal II belongs to the orthorhombic system with space group P2₁2₁2₁ having unit cell parameters of a = 8.950(2) Å, b = 13.272(3) Å, c = 15.454(4) Å and Z = 4. The O–H···O hydrogen bonding interaction links the molecule into linear chains. The distortion of rings of compound I and II were evaluated by calculation of the Cremer and Pople puckering parameters. The presence of the C–O–C bond in the compound II results in the changes of ring conformations compared with that of the compound I.     

Synthesis,crystal, and molecular structure of coordination polymers constructed by self-assembly of NiN<Subscript>4</Subscript> cores with 2,2′-iminodibenzoate and nitroprusside ions

Two coordination compounds of compositions [Ni(L¹)(idba)(H₂O)]·1.5 H₂O (1) and [Ni(L²)Fe(CN)₅NO]·C₂H₅OH (2) where L¹ is N, N′-bis(3-aminopropyl)ethylenediamine, L² is 2,12-dimethyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),2,11,13,15-pentaene, and idba^2? is 2,2′-iminodibenzoate have been synthesized and characterized by elemental analysis, IR spectroscopy, thermal analysis, and single-crystal X-ray diffraction. Complex 1 crystallizes in the monoclinic space group P2₁/n (No. 14) with a=9.810(2) Å, b=10.230(2) Å, c=25.350(5) Å, V=2543.6(9) Å³, Z=4, and R=0.0727. The nickel atom is six-coordinated by four N atoms of amine and two O atoms of water and idba^2?. The molecular packing of the complex comprises of an infinite one-dimensional layered network in which the molecules in the crystal are held together by a system of hydrogen bonding. Complex 2, however, crystallizes in the space group C2/c (No. 15) of the monoclinic system with a=19.7990(4) Å, b=14.9440(3) Å, c=19.8800(3) Å, V=5115.90(17) Å³, Z=4, and R=0.0540. The Ni ion in compound 2 has a slightly distorted octahedral arrangement of the N₄ donor atoms of primary ligand L² and two N-donor atoms of the secondary nitroprusside ligand. The structure of 2 displays an extended one-dimensional network formed by linear [—Ni—NC—Fe—CN—] units. A cyclic voltammetric study shows that compound 1 undergoes a quasireversible oxidation attributable to Ni²⁺ → Ni³⁺ in the range 300–420 mV vs SCE.     

Blue Photoluminescent Dimeric Cu(I) Dithiophosphates Bridged by a Flexible Ligand 1,2-Bis(4-Pyridyl)Ethane

The title compound {Cu[S₂P(OC₂H₅)₂](bpe)} _n (1) is constructed from flexible ligand bpe (bpe = 1,2-bis(4-pyridyl)ethane) and the Cu[S₂P(OC₂H₅)₂], which was characterized by single crystal structure determination, elemental analysis, XRD, and IR spectra. X-ray diffraction studies revealed that polymeric compound 1 consists of dinuclear module to form 1-D chains with the intramolecular Cu···Cu interactions (ca. 2.63 Å). This interaction may show a profound influence on the observed blue luminescence emission spectrum for 1. Crystal data for 1 at 293(2) K: Space group P ? 1, a = 9.277(3), b = 10.504 (4), c = 31.801(1) Å, α = 92.849(3), β = 90.401(2), γ = 114.547(7)°, V = 2813.9(2) ų, Z = 2, R ₁ = 0.041.     

Synthesis and Solid-State Structure of Cyclobutyltellurium(IV)-Containing Dimeric Tungstoarsenates(III)

The cage-like cyclobutyltellurium(IV)-containing tungstoarsenate(III) dimers [(C₄H₈Te-OH)₂(C₄H₈Te)₆{As₂W₁₇O₆₁(H₂O)}₂]^14? (1) and [{(C₄H₈Te)₂W₂O₅(H₂O)₂As₂W₁₉O₆₇(H₂O)}₂]^16? (2) were synthesized in moderately acidic aqueous medium by reaction of C₄H₈TeI₂ with the lacunary tungstoarsenates(III) [B-α-AsW₉O₃₃]^9? and [As₂W₁₉O₆₇(H₂O)]^14?, respectively. Polyanion 1 was isolated as a mixed cesium-guanidinium salt Cs_8.5(C(NH₂)₃)_5.5[(C₄H₈TeOH)₂(C₄H₈Te)₆{As₂W₁₇O₆₁(H₂O)}₂]·60H₂O (1a), whereas 2 crystallized as a mixed cesium-potassium salt Cs₉K₇[{(C₄H₈Te)₂W₂O₅(H₂O)₂As₂W₁₉O₆₇(H₂O)}₂]·90H₂O (2a). Single crystal X-ray analysis demonstrated that 1a and 2a crystallized in the triclinic space group \( P \bar{1} \), with a = 12.7738(8) Å, b = 18.7490(14) Å, c = 21.9831(14) Å, α = 111.155(4)^o, β = 93.312(3)^o, γ = 99.530(4) and Z = 1 for 1a and a = 19.309(6) Å, b = 24.674(8) Å, c = 26.071(8) Å, α = 63.218(17)°, β = 89.26(16)^°, γ = 79.948(17)^° and Z = 2 for 2a. The polyanion salts 1a and 2a were characterized by solid state NMR (¹H, ¹³C, ¹²⁵Te), FT-IR, TGA-DSC, and elemental analysis.     

Synthesis and structural characterization of Palladium(II) complex bearing <Emphasis Type="Italic">N</Emphasis>-Heterocyclic Carbene

Trans-Bis[1,3-bis(2,4-dimethylphenylimidazolidin-2-ylidene)]dichloropalladium(II), 4, was prepared from 1,3-bis(2,4-dimetilphenyl)imidazoliniumchloride. The crystal and molecular structure of 4 have been determined by single crystal X-ray diffraction. The title compound, C₃₈H₄₄N₄PdCl₂, crystalizes in the monoclinic space group P 21/n with a = 13.8713(9) Å, b = 12.1365(6) Å, c = 21.5499(15) Å. The Pd atom has a slightly distorted square planar coordination geometry. The molecules of the title compound are linked by C–H···Cl weak hydrogen bonds into two-dimensional sheets parallel to the (001) plane. In addition, the title compound was characterized by elemental analyses and NMR spectroscopy.     

Self-Assembly,Crystal Structure and Analysis of Intermolecular Interactions of the Supramolecular Compound Based on Hexamolybdochromate(III), Sulfate and Piperazine

A new supramolecular compound based on Anderson-B hexamolybdochromate, (H₂Pz)₃[Cr(OH)₆Mo₆O₁₈H](SO₄)₂·12H₂O (1) (Pz = piperazine) was synthesized and characterized by elemental analysis, IR spectroscopy, and single-crystal X-ray diffraction (Mo Kα). The compound crystallizes in monoclinic system, P21/c space group with a = 13.5708(6) Å, b = 17.3711(8) Å, c = 22.2387(9) Å, β = 110.631(2)°; V = 4906.3(4) Å³, Z = 4, D _c  = 2.290 g/cm³, F(000) = 3364.0; μ = 1.905, S = 1.033. The final R = 0.0398 and wR = 0.0971. The H₂pz²⁺ ions and sulfate anions in 1 are arranged through hydrogen bonds into a hexagonal network in [202] plane and hexamolybdochromates anions (CrMo₆) fill in the hexagonal vacancies. The networks stack in such a way that each anion links two sulfate ions from adjacent networks via hydrogen bonds with short (CrMo₆)O···OSO₃ distances of 2.637–2.697 Å. A lot of hydrogen bonds are formed between water molecules, sulfate, H₂pz²⁺ ions and CrMo₆ anions, which are the dominating force constructing the supramolecular structure. Hirshfeld surface analysis of 1 gives us the details of intermolecular interactions in the crystals of 1 in a visual manner and shows that the CrMo₆ anion acts as a stronger hydrogen bond donor than as an acceptor.     

Synthesis and Characterization of a Novel 3D Organic–Inorganic Hybrid Framwork Templated by Keggin Anions

A novel 3D compound, {K₃H₂[Cu(Gly)₂]₃BW₁₂O₄₀}·10H₂O 1 (Gly = glycine), has been synthesized and characterized by elemental analyses, IR, TG analyses, cyclic voltammetry, and single-crystal X-ray diffraction. Compound 1 contains square-grid layers constructed by potassium cations and copper-glycine coordination complexes, the [BW₁₂O₄₀]^4? anions as templates are accommodated in the square grids by connecting with the K atoms. The K atoms link [BW₁₂O₄₀]^4? anions from different layers together to yield a 3D novel structure. The crystal data for compounds 1: monoclinic, space group p2(1)/n, a = 18.832(4) Å, b = 16.488(3) Å, c = 20.570(4) Å, β = 106.21(3)°, V = 6133(2) Å³, Z = 4.     

The first two structurally characterized energetic catalysts derived from dinitropyridone

Two energetic catalysts, 3,5-dinitro-2-pyridonate of lead (II) (Pb(2DNPO)₂, 1) and 3,5-dinitro-4-pyridone-N-hydroxylate tetrahydrate of copper (II) (Cu(4DNPOH)₂(H₂O)₄, 2) were characterized by elemental analysis, FT-IR, TG-DSC and structurally characterized by X-ray single-crystal diffraction analysis. X-ray powder diffraction analysis of complex 1 confirmed the phase homogeneity of the polycrystalline sample. Crystal data for 1: monoclinic, space group P 21/n, a = 8.5253(9), b = 9.2938(10), c = 19.654(2) Å, β = 102.289(2)°, V = 1521.6(3) ų, Z = 4; 2: monoclinic, space group P 21/n , a = 8.3705(10), b = 9.9307(12), c = 10.5771(12) Å, β = 98.021(2)°, V = 870.62(18) ų, Z = 2. The complex 1 is a one-dimensional coordination polymer with each Pb(II) atom being six-coordinated, forming a heavily distorted octahedral geometry, by two nitrogen and four oxygen donors. Each ligand links the Pb(II) ions in a chelating bridging mode using nitrogen and oxygen atoms of its pyridonate part. The complex 2 is a copper (II) complex with a compressed octahedral geometry. The Cu(II) atom locates on the equatorial positions defined by oxygen atoms of four water molecules. Its axial positions are filled with two oxygen donors of the pyridine-N-hydroxylate moieties of two ligands. The abundant hydrogen bonds link the molecules into one-dimensional chains. Both the complexes represent the first two examples of the energetic catalysts containing dinitropyridine derivatives characterized crystallographically     

New organophosphorus compounds containing nicotinamide: synthesis,structure and DFT calculations

Novel organophosphorus compounds, containing Nicotinamide, with formula C₅H₄NC(O)NHP(O)R₂, R=Cl (1), OH (2), N(C₂H₅)₂ (3), N(C₃H₇)₂ (4), N(n-C₄H₉)₂ (5), NHC₃H₅ (6), NHC₅H₉ (7), were synthesized and characterized by ¹H, ¹³C, ³¹P, NMR, IR, spectroscopy and elemental analysis. Single crystal structures of 3 7 were determined by X-ray crystallography. ¹HNMR spectra of compounds 2, 3, 6–8 demonstrated interesting long-range coupling constant, ⁿ J _P,H (n = 5 7). Crystallographic data revealed that in both molecules 3 and 7, the phosphoryl and the carbonyl groups have anti-configurations and the phosphorus atoms in these structures have distorted tetrahedral configuration. All the hydrogen bonds and electrostatic interactions make a three dimensional polymeric network for both 3 and 7. Interestingly, two independent conformers were detected in the unit cell of compound 7. The two conformers of the title compound can be observed in a solid phase but only one compound defined in a solution. These two conformers are connected to each other by a short contact, N (amine)···H–C (pyridine) with 2.626 Å distance. The molecular geometry of 7 was calculated by DFT/B3LYP (6–31+G**) quantum chemical calculations. The computational optimized geometric parameters and vibrational frequencies showed a good agreement with the experimental results, considering reasonable variations arising from the differences between solid and gaseous phases. Theoretical calculations revealed that the more stable conformer of the title compound is conformer 1 with the energy of ?1335.723996 a.u., which is about 1.17 kcal/mol lower than the energy of conformer 2.     

Two New One-Dimensional Chain-Like Compounds Constructed from the Sandwich-Type Polyoxotungstate Clusters

Two new one-dimensional chain-like compounds, K₄Na₄[Mn₂(H₂O)₈Mn₄(H₂O)₂(GeW₉O₃₄)₂] · 20.5H₂O (1) and K₂Na₄Cu₂(H₂O)₁₂[Cu(H₂O)₂Cu₄(H₂O)₂(SiW₉O₃₄)₂] · 15H₂O (2), constructed from the sandwich-type clusters, have been obtained by the routine synthetic reactions in aqueous solutions, and their structures were determined by X-ray single crystal diffraction analysis. The crystal data is following: for 1, space group, monoclinic, P _21/n, a = 16.693(3) Å, b = 14.935(3) Å, c = 20.090(4) Å, β = 92.23(3)°, V = 5004.7(17) ų, Z = 2; For 2, space group, triclinic, P _?1, a = 11.744(2) Å, b = 13.415(3) Å, c = 17.609(4) Å, α = 73.08(3)°, β = 82.68(3)°, γ = 65.18(3)°, V = 2409.1(8) ų, Z = 1. The crystal structure of 1 shows a 1D ladder-like chain, built up of the sandwich anions [Mn₄(H₂O)₂(GeW₉O₃₄)₂]^12? and the Mn²⁺ ions. Compound 2 is a polymeric chain, composed of the Cu-substituted sandwich-type anions [Cu₄(H₂O)₂(SiW₉O₃₄)₂]^12? linked by the Cu(H₂O)₄ clusters. These extended materials based on the sandwich-type polyoxoanions are rarely reported in the POM chemistry.     

Spectroscopic characterizations,X-ray studies,and electronic circular dichroism calculations of two alkaloid triterpenoids

Two alkaloid triterpenoids formulated as C₂₆H₃₅NO₃ (1) and C₃₀H₄₅NO₂ (2) were isolated from the timer tree Aphanamixis grandifolia. The structure of 1 and 2 was determined by IR, HRESIMS, 1D, and 2D-NMR. Compound 1 was confirmed by X-ray single crystal diffraction. Compound 1 crystallizes in the monoclinic, space group C₂ with unit cell parameters a = 53.195(4) Å, b = 7.6339(8) Å, c = 11.202(2) Å, β = 94.6520(2)°. Intermolecular hydrogen bonding and π–π stacking were presented in the molecular packing of 1. The absolute configurations of 1 and 2 were established by comparison of experimental circular dichroism properties with their electronic circular dichroism predicted by molecular modeling DFT calculations.     

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.     

2-Propylamino-5-[4-(2-hydroxy-3,5-dichlorobenzylideneamino) phenyl]-1,3,4-thiadiazole: X-ray and DFT-calculated structures

2-Propylamino-5-[4-(2-hydroxy-3,5-dichlorobenzylideneamino) phenyl]-1,3,4-thiadiazole, formulated as C₁₈H₁₆Cl₂N₄OS (I), was synthesized. The crystal and molecular structure of (I) have been determined by ¹H-NMR, IR, and X-ray single crystal diffraction. The compound (I) crystallizes in the monoclinic, space group P2(1)/c with unit cell parameters a = 9.0576(2) Å, b = 24.3382(8) Å, c = 9.0585(2) Å, M _r = 407.31, V = 1851.13(9) Å³, Z = 4, R ₁ = 0.036, and wR ₂ = 0.096. Molecular geometry from X-ray experiment of (I) in the ground state has been compared using the density functional method (B3LYP) with 6-31G(d) basis set. To determine conformational flexibility, molecular energy profile of (I) was obtained by semi-empirical (PM3) calculations with respect to selected degree of torsional freedom, which was varied from ?180° to +180° in steps of 10°. The results are indicative that the Schiff base, which contains a thiadiazole ring, prefers to be in E-configuration. In addition, molecular electrostatic potential, frontier molecular orbitals, and natural bond orbitals analysis were performed by the B3LYP/6-31G(d) method.     

A Novel Zeotype Vanadoarsenate [NH<Subscript>4</Subscript>VO(AsO<Subscript>4</Subscript>)]<Subscript>n</Subscript> with ETS-10-like Topological Framework

A ETS-10-like topological vanadoarsenate [NH₄VO(AsO₄)]_n 1 has been hydrothermally synthesized and structurally characterized by X-ray diffraction. The molecule structural analysis reveals that 1 is constructed by helical [–V–O–]_n chains and AsO₄ tetrahedra. Crystal data for 1: Orthorhombic, with space group Pnna, a = 13.212(3) Å, b = 10.753(2) Å, c = 6.6266(13) Å, V = 941.4(3) Å³, Z = 8, R₁ = 0.0515 and wR₂ = 0.1144.     

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.     

Laterally non-symmetric aza cryptand molecules stitched by water

Crystal structure of the compound L·4H₂O (L = aza cryptand) and its supramolecular assembly via H-bonding through water molecules are described here. The compound crystallizes in the cubic space group Pa3 (no. 205) with the following lattice parameters: a=b=c=19.023(2) Å, V=6883.9(4) Å³, Z=8, R ₁=0.0592, wR ₂ = 0.1572, S=0.964.     

X-ray study of rhodium(III) sulfates

Compounds with compositions [Rh(H₂O)₆]₂(SO₄)₃·4H₂O (I), (H₃O)[Rh(H₂O)₆](SO₄)₂ (II), [Rh(H₂O)₅OH](SO₄)·0.5H₂O (III), and [Rh(H₂O)₆]₂(SO₄)·(H₂SO₄) _x ·5H₂O (IV) have been studied. The crystal structures of II, III, and IV were determined. All compounds crystallized in the monoclinic crystal system. Crystal data for II: a = 7.279(2) Å, b = 10.512(7) Å, c = 15.806(3) Å, β = 96.71(3)°, space group P2₁/n, Z = 2, d _calc = 2.334 g/cm³; III: a = 20.433(4) Å, b = 7.820(2) c = 11.215(2) Å, β = 114.14(1)°, space group C2/c, Z = 8, d _calc = 2.559 g/cm³; IV: a = 6.2250(4 Å), b = 27.0270(12) Å, c = 7.2674(5) Å, β = 97.04(3)°, space group P2₁/c, Z = 4, d _calc = 2.143 g/cm³. The compounds were studied by IR spectroscopy and powder X-ray diffraction. All of the isolated crystalline phases are sparingly soluble in ethanol and well soluble in water.     

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.