Home Crystal structure of poly[(μ2-nitrato-κ3 O,O′:O′′)(μ2-1-[(2-propyl-1H-benzimidazole-1-yl)methyl]-1H-benzotriazole-k2 N:N′)silver(I)], C17H17AgN6O3
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Crystal structure of poly[(μ2-nitrato-κ3 O,O′:O′′)(μ2-1-[(2-propyl-1H-benzimidazole-1-yl)methyl]-1H-benzotriazole-k2 N:N′)silver(I)], C17H17AgN6O3

  • Ling-He Cheng ORCID logo EMAIL logo , Meng-meng Cao , Hai-Long Zhang , Xiao Wang and Yang-Yu Liu
Published/Copyright: May 23, 2025

Abstract

C17H17AgN6O3, monoclinic, P21/c, a = 9.7281(3) Å, b = 18.8761(6) Å, c = 9.6289(3) Å, β = 99.548(3), Z = 4, V = 1743.65(10) Å3, R gt (F) = 0.0465, wR ref (F 2) = 0.1193, T = 293 K.

CCDC no.: 2448114

The molecular structure is shown in the figure. Table 1 contains the crystallographic data. The list of the atoms including atomic coordinates and displacement parameters can be found in the cif-file attached to this article.

Table 1:

Data collection and handling.

Crystal: Colourless block
Size: 0.20 × 0.12 × 0.10 mm
Wavelength:

μ:
Cu Kα radiation (1.54184 Å)

9.56 mm−1
Diffractometer, scan mode:

θ max, completeness:
Oxford Xcalibur, Eos, ω scans

67.1°, 100 %
N(hkl)measured, N(hkl)unique, R int: 6625, 3120, 0.045
Criterion for I obs, N(hkl)gt: I obs > 2 σ(I obs), 2462
N(param)refined: 269
Programs: Oxford, 1 SHELX 2

1 Source of materials

All starting materials are commercially available without further purification. 1-[(2-propyl-1H-benzimidazole-1-yl)methyl]-1H–benzotriazole (pbmb) was prepared according to the literature method with some modifications. 2 The ligand 1-[(2-propyl-1H-benzimidazole-1-yl)methyl]-1H–benzotriazole (0.04 mmol, 0.0117 g) was dissolved in 2 mL of methanol solution and the solution was slowly added to 2 ml of AgNO3 (0.04 mmol, 0.0068 g) of methanol solution. The prepared solution was placed at room temperature and avoid light. Colorless crystals were obtained after five days.

2 Experimental details

H atoms were generated geometrically and treated as riding atoms with C–H = 0.93 Å and U iso(H) = 1.2 times U eq(C) for aromatic H atoms, with C–H = 0.97 Å and U iso(H) = 1.2 times U eq(C) for methylene H atoms, and with C–H = 0.96 Å and U iso(H) = 1.5 times U eq(C) for methyl H atoms.

3 Comment

Nitrogen heterocyclic compounds, as key products of carbon nitrogen bonding reactions, play important roles in drug synthesis, environmental protection, organic catalytic processes, 3 and biosensing signal detection. 4 In addition, nitrogen-containing heterocyclic metal complexes not only combine the characteristics of metal compounds and nitrogen-containing compounds, but also receive attention due to their unique heterocyclic structure. For example, the Jyothi R team synthesized metal complexes such as Co2+, Zn2+, Cu2+ using flavonoid derivatives, and studied the inhibitory activity of the complexes against various pathogenic bacteria and a-glucosidase. 5 Furthermore, our research group also synthesized two Cu (II) metal complexes based on benzotriazole derivatives, and found that the hypoglycemic activity of Cu (II) metal complexes was much higher than that of single ligands. 6 Silver has been used to treat burn infections for a hundred years, and nitrogen-containing heterocyclic complexes synthesized with silver ions as metal centers have good antibacterial effects. 7 De Menezes Pereira, G team synthesized a novel silver(I) complex of uracil isomer and found good inhibitory activity against Gram positive and Gram negative bacterial strains. 8

X-ray crystallographic analysis shows that the title complex has a two-dimensional structure with dual core Ag (II) as the central symmetric unit, and crystallizes in the monoclinic P21/c space group. As shown in Figure. The central atom Ag(II) is bonded to three O atoms (O1, O2ii, and O3ii) and two N atoms (N1i and N5 in the pbmb ligand), respectively. The lengths of the Ag–O and Ag–N bonds around Ag1 are: Ag1–O1:2.516(14) Å; Ag1–O2ii: 2.540(18) Å; Ag1–O3ii: 2.532(13) Å; Ag1–N1i: 2.335(4) Å; Ag1–N5: 2.231(4) Å. The range of bond angles around the metal center Ag(II) is 42.9(5)°-140.2(3)°. The smallest bond angle is O3ii–Ag1–O2ii, the largest is N5–Ag1–O3ii. In each pbmb ligand, the dihedral angle between the benzotriazole ring and the benzimidazole ring is 83.8°; and the two adjacent silver (II) ions are linked by nitrate ions to form a chain structure. The chain is connected by two pbmb ligands, forming a binucleate structure in a bidentate bridging coordination mode, and extending into a two-dimensional fish network structure.


Corresponding author: Ling-He Cheng, School of Materials Science and Engineering, North China University of Water Resources and Electric Power, Zhengzhou 450046, P.R. China, E-mail:

Acknowledgments

This work was financially supported by the Key Scientific and Research Projects of the Education Department of Henan Province (No. 21A430024).

References

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Received: 2025-03-05
Accepted: 2025-04-30
Published Online: 2025-05-23
Published in Print: 2025-08-26

© 2025 the author(s), published by De Gruyter, Berlin/Boston

This work is licensed under the Creative Commons Attribution 4.0 International License.

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