Nitration Products of 5‐Amino‐1H‐tetrazole and Methyl‐5‐amino‐1H‐tetrazoles – Structures and Properties of Promising Energetic Materials

The nitration of 5‐amino‐1H‐tetrazole ( 1 ), 5‐amino‐1‐methyl‐1H‐tetrazole ( 3 ), and 5‐amino‐2‐methyl‐2H‐tetrazole ( 4 ) with HNO₃ (100%) was undertaken, and the corresponding products 5‐(nitrimino)‐1H‐tetrazole ( 2 ), 1‐methyl‐5‐(nitrimino)‐1H‐tetrazole ( 5 ), and 2‐methyl‐5‐(nitramino)‐2H‐tetrazole ( 6 ) were characterized comprehensively using vibrational (IR and Raman) spectroscopy, multinuclear (¹H, ¹³C, ¹⁴N, and ¹⁵N) NMR spectroscopy, mass spectrometry, and elemental analysis. The molecular structures in the crystalline state were determined by single‐crystal X‐ray diffraction. The thermodynamic properties and thermal behavior were investigated by using differential scanning calorimetry (DSC), and the heats of formation were determined by bomb calorimetric measurements. Compounds 2, 5 , and 6 were all found to be endothermic compounds. The thermal decompositions were investigated by gas‐phase IR spectroscopy as well as DSC experiments. The heats of explosion, the detonation pressures, and velocities were calculated with the software EXPLO5, whereby the calculated values are similar to those of common explosives such as TNT and RDX. In addition, the sensitivities were tested by BAM methods (drophammer and friction) and correlated to the calculated electrostatic potentials. The explosion performance of 5 was investigated by Koenen steel sleeve test, whereby a higher explosion power compared to RDX was reached. Finally, the long‐term stabilities at higher temperatures were tested by thermal safety calorimetry (FlexyTSC). X‐Ray crystallography of monoclinic 2 and 6 , and orthorhombic 5 was performed.     

Synthesis and Molecular Structure of New S‐Nucleosides of 5‐(4‐Pyridyl)‐4‐Aryl‐4H‐1,2,4‐Triazole‐3‐Thiols

The synthesis of some new S‐nucleosides of 5‐(4‐pyridyl)‐4‐aryl‐4H‐1,2,4‐triazole‐3‐thiols ( 4a‐n ) is described. Direct glycosylation of ( 4a‐n ) with tetra‐O‐acetyl‐α‐D‐glucopyranosyl bromide in the presence of potassium hydroxide followed by deacetylation using dry ammonia in methanol gave the corresponding 3‐S‐(ñ‐D‐glucopyranosyl)‐5‐(4‐pyridyl)‐4‐aryl‐4H‐1,2,4‐triazoles ( 6a‐n ) in good yields. All the compounds were fully characterized by means of ¹HNMR, ¹³C NMR spectra and elemental analyses. To assist in the interpretation of the spectroscopic data, the crystal structure of 3‐S‐(2′,3′,4′,6′‐tetra‐O‐acetyl‐β‐D‐glucopyranosyl)‐5‐(4‐pyridyl)‐4‐phenyl‐4H‐1,2,4‐triazole ( 5a ) was determined by X‐ray diffraction.     

The Convenient Synthesis of 11‐Methyl‐3,8‐disubstituted‐12‐aryl‐3,4,7,8,9,12‐hexahydro‐1H‐chromeno[2,3‐b]quinoline‐1,10(2H)‐dione Derivatives

The 2‐arylidene‐3‐oxobutanenitrile derivatives 2 were prepared by the Knoevenagel condensation between aldehydes and 3‐oxobutanenitrile 1 , which was obtained by acid hydrolysis of β‐aminocrotononitrile. 3‐Acetyl‐2‐amino‐4H‐chromen‐5(6H)‐one derivatives 3 were synthesized by reaction of 2‐arylidene‐3‐oxobutanenitrile 2 and 5‐substituted‐1,3‐cyclohexanedione in ethylene glycol. The 11‐methyl‐3,8‐disubstituted‐12‐aryl‐3,4,7,8,9,12‐hexahydro‐1H‐chromeno[2,3‐b]quinoline‐1,10(2H)‐dione derivatives 4 were obtained by Friedländer reaction of compounds 3 with 5‐substituted‐1,3‐cyclohexanedione, using p‐toluenesulfonic acid monohydrate as catalyst. The structures of all novel compounds were characterized by elemental analysis, IR, MS, and ¹H NMR spectra. The crystal and molecular structure of compound 4f has been determined by single crystal XRD analysis.     

Isolation and spectral study of 4‐methyl‐6,8‐dihydroxy‐7H‐benz[de]anthracen‐7‐one

4‐Methyl‐6,8‐dihydroxy‐7H‐benz[de]anthracen‐7‐one was isolated from the sap of Aloe by column chromatography. Its ¹H and ¹³C NMR spectra were completely assigned by utilizing two‐dimensional ¹H‐detected heteronuclear one‐bond (HMQC) and multiple‐bond (HMBC) chemical shift correlation experiments together with ¹H–¹H COSY and DEPT techniques. These techniques were also valuable in assigning the protons and carbons of those benzanthrone compounds which were previously incompletely reported because of the overlap of proton signals. The molecular structure was elucidated by 2D NMR analysis. The spectral properties (MS, IR and UV) are also presented. Copyright © 2003 John Wiley & Sons, Ltd.     

1D Structure Sodium Coordination Anion based on [5‐(Dinitromethylene)‐4,5‐dihydro‐1H‐tetrazole]: Syntheses,Structures, and Thermal Behavior

The ten‐coordinate complex, (HATr)[Na(DNMz)] · H₂O ( 1 ) was synthesized by reaction of 5‐(dinitromethylene)‐4,5‐dihydro‐1H‐tetrazole (DNMz), sodium hydroxide, and 3‐hydrazinium‐4‐amino‐1,2,4‐1H‐triazolium dichloride (HATr) in aqueous solution and characterized by various physico‐chemical techniques. Complex 1 is an energetic material with a nitrogen content of 51.2 % and a decomposition temperature of 128.9 °C. The molecular structure of complex 1 crystallizes in the monoclinic system with P2(1)/c group and shows an infinite 1D chain structure. The heat of formation was determined as –122.27 kJ · mol^–1 by using bomb calorimetry. In addition, the kinetic parameters were studied by Kissinger's and Ozawa‐Doyle's methods.     

A New Route for Preparation of 5‐Deoxy‐5‐(hydroxyphosphinyl)‐ D‐mannopyranose and ‐L‐gulopyranose Derivatives

Starting from methyl 2,3‐O‐isopropylidene‐α‐D ‐mannofuranoside ( 5 ), methyl 6‐O‐benzyl‐2,3‐O‐isopropylidene‐α‐D ‐lyxo‐hexofuranosid‐5‐ulose ( 12 ) was prepared in three steps. The addition reaction of dimethyl phosphonate to 12 , followed by deoxygenation of 5‐OH group, provided the 5‐deoxy‐5‐dimethoxyphosphinyl‐α‐D ‐mannofuranoside derivative 15a and the β‐L ‐gulofuranoside isomer 15b . Reduction of 15a and 15b with sodium dihydrobis(2‐methoxyethoxy)aluminate, followed by the action of HCl and then H₂O₂, afforded the D ‐mannopyranose ( 17 ) and L ‐gulopyranose analog 21 , each having a phosphinyl group in the hemiacetal ring. These were converted to the corresponding 1,2,3,4,6‐penta‐O‐acetyl‐5‐methoxyphosphinyl derivatives 19 and 23 , respectively, structures and conformations (⁴C₁ or ¹C₄, resp.) of which were established by ¹H‐NMR spectroscopy.     

Synthesis of a new 2‐amino‐glycan,poly‐(1→6)‐α‐D‐mannosamine,by ring‐opening polymerization of 1,6‐anhydro‐mannosamine derivatives

A stereoregular 2‐amino‐glycan composed of a mannosamine residue was prepared by ring‐opening polymerization of anhydro sugars. Two different monomers, 1,6‐anhydro‐2‐azido‐mannose derivative ( 3 ) and 1,6‐anhydro‐2‐(N, N‐dibenzylamino)‐mannose derivative ( 6 ), were synthesized and polymerized. Although 3 gave merely oligomers, 6 was promptly polymerized into high polymers of the number‐average molecular weight (M_n) of 2.3 × 10⁴ to 2.9 × 10⁴ with 1,6‐α stereoregularity. The differences of polymerizability of 3 and 6 from those of the corresponding glucose homologs were discussed. It was found that an N‐benzyl group is exceedingly suitable for protecting an amino group in the polymerization of anhydro sugars of a mannosamine type. The simultaneous removal of O‐ and N‐benzyl groups of the resulting polymers was achieved by using sodium in liquid ammonia to produce the first 2‐amino‐glycan, poly‐(1→6)‐α‐D ‐mannosamine, having high molecular weight through ring‐opening polymerization of anhydro sugars.© 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012     

Synthesis,Structure, Chemical and Energetic Characterization of 1,3‐Dinitramino‐2‐nitroxy‐propane

The title compound, 1,3‐dinitramino‐2‐nitroxy‐propane ( 1 ) was prepared in high yield (85 %) and characterized by multinuclear NMR (¹H, ¹³C, ¹⁴N) and vibrational (IR, Raman) spectroscopy. The molecular structure in the solid state was elucidated by single crystal X‐ray diffraction. 1 crystallizes in the orthorhombic space group P_nma with a crystal density of ρ = 1.798 g cm^?3. Compound 1 melts at 166 °C and decomposes at 168 °C. The impact (7 J), friction (96 N) and electrostatic discharge sensitivities (0.6 J) were determined experimentally. The detonation parameters of 1 were calculated using a combined quantum chemical (CBS‐4M) calculation and a chemical equilibrium calculation based on the steady‐state model of detonation: Q = ?5998 kJ kg^?1, P = 339 kbar, D = 8895 m s^?1. The experimentally determined detonation velocity (fiber optic method) agrees well with the calculated values. In comparison with picric acid (PA) and nitropenta (PETN), compound 1 shows superior detonation characteristics when detonated in a confined space.     

Synthesis,Base Pairing,and Fluorescence Properties of Oligonucleotides Containing 1H‐Pyrazolo[3,4‐d]pyrimidin‐6‐amine (8‐Aza‐7‐deazapurin‐2‐amine) as an Analogue of Purin‐2‐amine

The synthesis of the N⁹‐ and N⁸‐(β‐D ‐2′‐deoxyribonucleosides) 2 and 10 , respectively, of 8‐aza‐7‐deazapurin‐2‐amine (=1H‐pyrazolo[3,4‐d]pyrimidin‐6‐amine) is described. The fluorescence properties and the stability of the N‐glycosylic bond of 2 were determined and compared with those of the 2′‐deoxyribonucleosides 1 and 3 of purin‐2‐amine and 7‐deazapurin‐2‐amine respectively. From the nucleoside 2 , the phosphoramidite 14 was prepared, and oligonucleotides were synthesized. Duplexes containing compound 1 or 2 are slightly less stable than those containing 2′‐deoxyadenosine, while their CD spectra are rather different. The fluorescence of the nucleosides is strongly quenched (>95%) in single‐stranded as well as in duplex DNA. The residual fluorescence was used to determine the melting profiles, which gave T_m values similar to those determined from the UV melting curves.     

Experimental and theoretical investigation of the molecular and electronic structure of N′‐benzylidene‐N‐[4‐(3‐methyl‐3‐phenyl‐cyclobutyl)‐thiazol‐2‐yl]‐chloro‐acetic acid hydrazide

The title compound, N′‐benzylidene‐N‐[4‐(3‐methyl‐3‐phenyl‐cyclobutyl)‐thiazol‐2‐yl]‐chloro‐acetic acid hydrazide, has been synthesized and characterized by elemental analysis, IR, ¹H and ¹³C NMR, and X‐ray single crystal diffraction. The compound crystallizes in the orthorhombic space group P 21 21 21 with a = 5.8671 (3) Å, b = 17.7182 (9) Å, and c = 20.6373 (8) Å. Moreover, the molecular geometry from X‐ray experiment, the molecular geometry, vibrational frequencies, and gauge‐including atomic orbital ¹H and ¹³C chemical shift values of the title compound in the ground state have been calculated by using the Hartree–Fock and density functional methods (B3LYP) with 6‐31G(d) and 6‐31G(d,p) basis sets. The results of the optimized molecular structure are exhibited and compared with the experimental X‐ray diffraction. Besides, molecular electrostatic potential, Frontier molecular orbitals, and thermodynamic properties of the title compound were determined at B3LYP/6‐31G(d) levels of theory. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012     

Regio‐ and stereoselective cyclopolymerization of 1,2 : 4,5‐dianhydro‐3‐O‐methyl‐xylitol leading to a novel polycarbohydrate of (2→5)‐1,4‐anhydro‐3‐O‐methyl‐pentitol

(2→5)‐1,4‐Anhydro‐3‐O‐methyl‐pentitol, which is a novel carbohydrate polymer without an anomeric linkage, was synthesized by cationic cyclopolymerization of 1,2 : 4,5‐dianhydro‐3‐O‐methyl‐xylitol. When BF₃·OEt₂ was used as the initiator, soluble polymers were obtained in 28 to 50% yield. These polymers have number‐average molecular weights of 1 150 to 2 340 corresponding to an average degree of polymerization of 8.8 to 18.0. It was confirmed by ¹³C NMR that the resulting polymer mainly consists of 1,4‐anhydro‐3‐O‐methyl‐D L ‐arabinitol units.     

Solution 1H and 13C NMR of new chiral 1,4‐oxazepinium heterocycles and their intermediates from the reaction of 2,4‐pentanedione with α‐L‐amino acids and (R)‐(—)‐2‐phenylglycinol

The reaction of 2,4‐pentanedione ( 1 ) with (R)‐(—)‐2‐phenylglycine methyl ester ( 2 ), (R)‐(—)‐2‐phenylglycinol ( 3 ) and the proteinogenic amino acids (2S,3R)‐(—)‐2‐amino‐3‐hydroxybutyric acid (L ‐threonine) ( 4 ) and (R)‐(—)‐2‐amino‐3‐mercaptopropionic acid (L ‐cysteine) ( 5 ) methyl esters was investigated. The corresponding enamines 6 , 7 and 8 were isolated and characterized spectroscopically whereas 9 , which is unstable, was transformed in situ into 13 . Treatment of 7 , 8 and 9 with boron trifluoride etherate afforded the new [1,4]oxazepines 10 , 11 and [1,4]thiazepine ( 12 ) as their BF₃O^? salts. The structures of the enamines and their corresponding seven‐membered heterocycles were assessed by 1D and 2D NMR spectroscopy. Variable‐temperature experiments revealed different molecular mobility behavior among these heterocycles. Copyright © 2003 John Wiley & Sons, Ltd.     

Synthesis of 3‐(substituted)‐2,4,8,15‐tetroxa‐3‐phosphadispiro[5.2.5]hexadecane‐3‐oxides

Novel 3‐(substituted)‐2,4,8,15‐tetroxa‐3‐phosphadispiro[5.2.5]hexadecane‐3‐oxides (3‐12) have been synthesized by cyclization of 1,5‐dioxaspiro[5.5]undecande‐3,3‐dimethanol (1) with various substituted aryl phosphorus dichloridates (2) in dry toluene‐THF in the presence of triethylamine at 40‐60 ^oC. Their molecular structures were determined by ir, nmr and mass spectral studies and were screened for antifungal activity against Curvularia lunata and Aspergillus niger, and antibacterial activity on Staphylococcus aureus and Escherichia coli. Most of them possess significant activity.     

Synthesis and Structure Elucidation of (R)‐3‐(2′‐hydroxyprop‐1‐yl) adenine

(R)‐3‐(2′‐hydroxyprop‐1‐yl) adenine 4 was obtained by alkylation of adenine 1 with R‐propylene carbonate 2 in the presence of pulverized sodium hydroxide in the synthetic process of tenofovir. The elucidation of the structure of 4 was confirmed by single crystal X‐ray diffraction and NMR experiments such as 1D ¹H, ¹³C, and DEPT, as well as 2D COSY, HSQC, and HMBC spectra.     

Pseudonocardides A – G,New γ‐Butyrolactones from Marine‐derived Pseudonocardia sp. YIM M13669

Seven new γ‐butyrolactones, named pseudonocardides A – G ( 1  –  7 ), were isolated from the marine‐derived actinomycete strain Pseudonocardia sp. YIM M13669. Their structures were elucidated on the basis of spectroscopic data including 1D‐ and 2D‐NMR, and HR‐ESI‐MS. The absolute configuration of 1 was determined by X‐ray crystallographic analysis of 1a (4‐bromobenzoate derivative of 1 ). The antibacterial activity against Mycobacterium smegmatis MC²155 and cytotoxicities of compounds 1  –  7 were evaluated in this study.     

7‐Iodo‐5‐aza‐7‐deazaguanine: Syntheses of Anomeric D‐ and L‐Configured 2‐Deoxyribonucleosides

Iodination of N²‐isobutyryl‐5‐aza‐7‐deazaguanine ( 7 ) with N‐iodosuccinimide (NIS) gave 7‐iodo‐N²‐isobutyryl‐5‐aza‐7‐deazaguanine ( 8 ) in a regioselective reaction (Scheme 1). Nucleobase‐anion glycosylation of 8 with 2‐deoxy‐3,5‐di‐O‐toluoyl‐α‐D ‐ or α‐L ‐erythro‐pentofuranosyl chloride furnished anomeric mixtures of D ‐ and L ‐nucleosides. The anomeric D ‐nucleosides were separated by crystallization to give the α‐D ‐anomer and β‐D ‐anomer with excellent optical purity. Deprotection gave the 7‐iodo‐5‐aza‐7‐deazaguanine 2′‐deoxyribonucleosides 3 (β‐D ; ≥99% de) and 4 (α‐D ; ≥99% de). The reaction sequence performed with the D ‐series was also applied to L ‐nucleosides to furnish compounds 5 (β‐L ; ≥99% de) and 6 (α‐L ; ≥95% de).     

2‐(2′‐Pyridyl)‐4,6‐diphenylphosphinine versus 2‐(2′‐Pyridyl)‐4,6‐diphenylpyridine: Synthesis,Characterization, and Reactivity of Cationic RhIII and IrIII Complexes Based on Aromatic Phosphorus Heterocycles

The bidentate P,N hybrid ligand 1 allows access for the first time to novel cationic phosphinine‐based Rh^III and Ir^III complexes, broadening significantly the scope of low‐coordinate aromatic phosphorus heterocycles for potential applications. The coordination chemistry of 1 towards Rh^III and Ir^III was investigated and compared with the analogous 2,2′‐bipyridine derivative, 2‐(2′‐pyridyl)‐4,6‐diphenylpyridine ( 2 ), which showed significant differences. The molecular structures of [RhCl(Cp*)( 1 )]Cl and [IrCl(Cp*)( 1 )]Cl (Cp*=pentamethylcyclopentadienyl) were determined by means of X‐ray diffraction and confirm the mononuclear nature of the λ³‐phosphinine–Rh^III and Ir^III complexes. In contrast, a different reactivity and coordination behavior was found for the nitrogen analogue 2 , especially towards Rh^III as a bimetallic ion pair [RhCl(Cp*)( 2 )]⁺[RhCl₃(Cp*)]^? is formed rather than a mononuclear coordination compound. [RhCl(Cp*)( 1 )]Cl and [IrCl(Cp*)( 1 )]Cl react with water regio‐ and diastereoselectively at the external P?C double bond, leading exclusively to the anti‐addition products [MCl(Cp*)( 1 H ? OH)]Cl as confirmed by X‐ray crystal‐structure determination.     

Simple and Efficient Synthesis of Novel 3‐Substituted 2‐Thioxo‐2,3‐dihydro‐1H‐benzo[g]quinazolin‐4‐ones and Their Reactions with Alkyl Halides and α‐Glycopyranosyl Bromides

A series of 3‐substituted 2‐thioxo‐2,3‐dihydro‐1H‐benzo[g]quinazolin‐4‐ones 4a – e were synthesized from the reaction of 3‐aminonaphthalene‐2‐carboxylic acid 1 with isothiocyanate derivatives 2a – e . The alkylation of 4a – e with alkyl halides gave 3‐substituted 2‐alkylsulfanyl‐2,3‐dihydro‐1H‐benzo[g]quinazolin‐4‐ones 5a – o . S‐Glycosylation was carried out via the reaction of 4a – e with glycopyranosyl bromides 7a and 7b under anhydrous alkaline conditions. The structure of the compounds was established as S‐nucleoside and not N‐nucleoside. Conformational analysis has been studied by homonuclear and heteronuclear two‐dimensional NMR methods (2D DFQ‐COSY, heteronuclear multiple quantum coherence, and heteronuclear multiple bond correlation). The S site of alkylation and glycosylation was determined from the ¹H and ¹³C heteronuclear multiple quantum coherence experiments.     

Syntheses,Structures, and Luminescent Properties of d10 Coordination Polymers with 2‐(4‐Carboxyphenyl)‐imidazo[4, 5‐f]‐1, 10‐phenanthroline and 1, 3‐Benzenedicarboxylate Derivatives

Four Zn^II/Cd^II coordination polymers (CPs) based on 2‐(4‐carboxy‐phenyl)imidazo[4, 5‐f]‐1, 10‐phenanthroline (HNCP) and different derivatives of 5‐R‐1, 3‐benzenedicarboxylate (5‐R‐1, 3‐BDC) (R = NO₂, H, OH), [Zn(HNCP)(5‐NO₂‐1, 3‐BDC)]_n ( 1 ), [Cd(HNCP)(5‐NO₂‐1, 3‐BDC)]_n ( 2 ), [Zn(HNCP)(1, 3‐BDC)(H₂O)₂]_n ( 3 ), and {[Zn(HNCP)(5‐OH‐1, 3‐BDC)(H₂O) · H₂O}_n ( 4 ) were synthesized under hydrothermal conditions. Compounds 1 – 4 were determined by elemental analyses, IR spectroscopy, and single‐crystal and powder X‐ray diffraction. Compounds 1 and 2 are isomorphous, presenting a 4‐connected uninodal (4, 4)‐sql 2D framework with threefold interpenetration, which are further extended into the three‐dimensional (3D) supramolecular architecture through π ··· π stacking interactions between the aryl rings of 5‐NO₂‐1, 3‐BDC. Compared to compound 1 , 3 is obtained by using different reaction temperatures and metal‐ligand ratios, generating a 3D framework with –ABAB– fashion via π ··· π stacking interactions. Compound 4 is a 1D chain, which is further extended into a 3D supramolecular net by hydrogen bonds and π ··· π stacking interactions. The thermogravimetric and fluorescence properties of 1 – 4 were also explored.     

A two‐dimensional cadmium(II) coordination polymer constructed from 4‐carboxy‐1‐(4‐carboxylatobenzyl)‐2‐propyl‐1H‐imidazole‐5‐carboxylate and 1‐(4‐carboxylatobenzyl)‐2‐propyl‐1H‐imidazole‐4‐carboxylate ligands

Crystals of poly[[aqua[μ₃‐4‐carboxy‐1‐(4‐carboxylatobenzyl)‐2‐propyl‐1H‐imidazole‐5‐carboxylato‐κ⁵O¹O^1′:N³,O⁴:O⁵][μ₄‐1‐(4‐carboxylatobenzyl)‐2‐propyl‐1H‐imidazole‐4‐carboxylato‐κ⁷N³,O⁴:O⁴,O^4′:O¹,O^1′:O¹]cadmium(II)] monohydrate], {[Cd₂(C₁₅H₁₄N₂O₄)(C₁₆H₁₄N₂O₆)(H₂O)]·H₂O}_n or {[Cd₂(Hcpimda)(cpima)(H₂O)]·H₂O}_n, (I), were obtained from 1‐(4‐carboxybenzyl)‐2‐propyl‐1H‐imidazole‐4,5‐dicarboxylic acid (H₃cpimda) and cadmium(II) chloride under hydrothermal conditions. The structure indicates that in‐situ decarboxylation of H₃cpimda occurred during the synthesis process. The asymmetric unit consists of two Cd²⁺ centres, one 4‐carboxy‐1‐(4‐carboxylatobenzyl)‐2‐propyl‐1H‐imidazole‐5‐carboxylate (Hcpimda²⁻) anion, one 1‐(4‐carboxylatobenzyl)‐2‐propyl‐1H‐imidazole‐4‐carboxylate (cpima²⁻) anion, one coordinated water molecule and one lattice water molecule. One Cd²⁺ centre, i.e. Cd1, is hexacoordinated and displays a slightly distorted octahedral CdN₂O₄ geometry. The other Cd centre, i.e. Cd2, is coordinated by seven O atoms originating from one Hcpimda²⁻ ligand and three cpima²⁻ ligands. This Cd²⁺ centre can be described as having a distorted capped octahedral coordination geometry. Two carboxylate groups of the benzoate moieties of two cpima²⁻ ligands bridge between Cd2 centres to generate [Cd₂O₂] units, which are further linked by two cpima²⁻ ligands to produce one‐dimensional (1D) infinite chains based around large 26‐membered rings. Meanwhile, adjacent Cd1 centres are linked by Hcpimda²⁻ ligands to generate 1D zigzag chains. The two types of chains are linked through a μ₂‐η² bidentate bridging mode from an O atom of an imidazole carboxylate unit of cpima²⁻ to give a two‐dimensional (2D) coordination polymer. The simplified 2D net structure can be described as a 3,6‐coordinated net which has a (4³)₂(4⁶.6⁶.8³) topology. Furthermore, the FT–IR spectroscopic properties, photoluminescence properties, powder X‐ray diffraction (PXRD) pattern and thermogravimetric behaviour of the polymer have been investigated.