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Synthesis, crystal growth, crystal structure, optical, thermal, biological and NLO studies of heterocyclic compound N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
Results in Chemistry ( IF 2.5 ) Pub Date : 2020-12-01 , DOI: 10.1016/j.rechem.2020.100083
P. Prabukanthan , C. Raveendiran , G. Harichandran , Perumal Seenuvasakumaran

Heterocyclic organic compound N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide (N2BT2MBA) was synthesized by the process of benzoylation of 2-aminobenzothiazole using 2-methoxybenzoylchloride and structurally characterized. The compound N2BT2MBA molecular ion peak at 284.3 was confirmed by gas chromatographic mass spectrometry [GC–MS]. The single crystal X-ray diffraction (room temperature and liquid nitrogen temperature) study reveal that N2BT2MBA crystallized with methanol solvate exhibit a triclinic system with space group P-1. FT-IR spectra of N2BT2MBA molecule confirm the presence of carbonyl functional group vibration mode at 1654 cm−1. The absorbance band of N2BT2MBA compound in UV-NIR region found at 305 nm and the optical band gap to be 3.67 eV. 1H and 13C NMR spectral analysis were used to predict the placement of protons and carbons in the N2BT2MBA molecule respectively. Thermal analysis of grown crystals N2BT2MBA were confirmed by TGA & DTA analysis and the crystal was found to be stable up to 160 °C. The antibacterial and antifungal activity of N2BT2MBA compound was tested using ciprofloxacin and amphotericin-B as a standard by zone of inhibition method. The results show that the compound active. The second harmonic generation (SHG) was confirmed by Kurtz-Perry powder technique for N2BT2MBA crystal with the SHG efficiency 3.5 times greater than that of potassium dihydrogen phosphate [KDP].



中文翻译:

合成,晶体生长,晶体结构,杂环化合物N-(1光学,热,生物和NLO研究 3-苯并噻唑-2-基)-2-甲氧基苯甲酰胺

利用2-甲氧基苯甲酰氯通过2-氨基苯并噻唑的苯甲酰化反应合成了杂环有机化合物N-(1,3-苯并噻唑-2-基)-2-甲氧基苯甲酰胺(N2BT2MBA)。气相色谱质谱法[GC-MS]确认化合物N2BT2MBA的分子离子峰在284.3。单晶X射线衍射(室温和液氮温度)研究表明,用甲醇溶剂化物结晶的N2BT2MBA表现出空间群为P-1的三斜晶系​​。N2BT2MBA分子的FT-IR光谱证实了羰基官能团在1654 cm -1处的振动模式。N2BT2MBA化合物在305 nm的UV-NIR区的吸收带,光学带隙为3.67 eV。1 H和1使用3 C NMR光谱分析分别预测N2BT2MBA分子中质子和碳的位置。通过TGA和DTA分析确认了生长晶体N2BT2MBA的热分析,发现该晶体在高达160°C的温度下稳定。以环丙沙星和两性霉素-B为标准,通过抑制区法测试了N2BT2MBA化合物的抑菌和抑菌活性。结果表明该化合物具有活性。通过Kurtz-Perry粉末技术确定了N2BT2MBA晶体的二次谐波(SHG),其SHG效率是磷酸二氢钾[KDP]的3.5倍。

更新日期:2020-12-16
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