Structural and photophysical characterization, topological and conformational analysis of 2-o-tolyl-4-(3-N,N-dimethylaminophenyl-methylene)-oxazol-5-one

Sevin?ek R.; ?ztürk G.; Aygün M.; Alp S.; Büyükgüng?r O.

首页> 外文期刊>Journal of structural chemistry >Structural and photophysical characterization, topological and conformational analysis of 2-o-tolyl-4-(3-N,N-dimethylaminophenyl-methylene)-oxazol-5-one

【24h】

Structural and photophysical characterization, topological and conformational analysis of 2-o-tolyl-4-(3-N,N-dimethylaminophenyl-methylene)-oxazol-5-one

机译：2-邻甲苯基-4-（3-N，N-二甲基氨基苯基-亚甲基）-恶唑-5-酮的结构和光物理特征，拓扑和构象分析

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

A novel oxazole-5-one derivative 2-o-tolyl-4-(3-N,N-dimethylaminophenylmethylene)-oxazol-5-one (TDPO) C_(19)H_(18)N_2O_2 is synthesized and characterized and the crystal structure is determined by X-ray crystallography. TDPO is monoclinic in the P2_1/c space group. The molecule adopts the Z configuration. To enlighten the flexibility of TDPO, the selected torsion angle is varied from ?180° to 180° in each 10° separately, and the molecular energy profile is calculated and analyzed by density functional calculations. In addition, Bader’s QTAIM analysis is performed to investigate the intramolecular weak interactions.

机译：合成并表征了新型恶唑-5-酮衍生物2-邻甲苯基-4-（3-N，N-二甲基氨基苯基亚甲基）-恶唑-5-酮（TDPO）C_（19）H_（18）N_2O_2，并对其晶体进行了表征结构通过X射线晶体学确定。 TDPO在P2_1 / c空间组中是单斜的。该分子采用Z构型。为了启发TDPO的灵活性，选择的扭转角分别在每10°中从θ180°改变为180°，并通过密度泛函计算来计算和分析分子能量分布。此外，还进行了Bader的QTAIM分析，以研究分子内的弱相互作用。

著录项

来源
《Journal of structural chemistry》 |2011年第2期|共7页
作者
Sevin?ek R.; ?ztürk G.; Aygün M.; Alp S.; Büyükgüng?r O.;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类结构化学;
关键词
crystal structure; oxazole-5-one; conformational analysis; topological analysis;

机译：晶体结构恶唑-5-酮构象分析拓扑分析;

相似文献

外文文献
中文文献
专利

1. Structural and photophysical characterization, topological and conformational analysis of 2-o-tolyl-4-(3-N,N-dimethylaminophenyl-methylene)-oxazol-5-one [J] . Sevin?ek R., ?ztürk G., Aygün M., Journal of structural chemistry . 2011,第2期

机译：2-邻甲苯基-4-（3-N，N-二甲基氨基苯基-亚甲基）-恶唑-5-酮的结构和光物理特征，拓扑和构象分析
2. Photophysical characterization of fluorescent oxazol-5-one derivatives in PVC and their application as biosensors in the detection of ACh and AChE inhibitor: Donepezil [J] . Gulsiye Ozturk, Serap Alp, Suna Timur Dyes and Pigments . 2008,第3期

机译：PVC中荧光恶唑5酮衍生物的光物理特征及其在生物传感器中检测ACh和AChE抑制剂的应用：多奈哌齐
3. Synthesis, Characterization, and X-ray Structural Analysis of Diplatinum Complexes Containing Bridging #mu#-SiHAr Ligands, {(Ph_nMe_(3-n)P)_2Pt[#mu#-SiHAr]}_2 [n = 0 -2; Ar = 2-isopyropyl-6-methyl(phenyl)] [J] . J.Braddock-Wilking, Y.Levchinsky, N.P.Rath Organometallics . 2001,第3期

机译：含桥接＃mu＃-SiHAr配体{{Ph_nMe_（3-n）P）_2Pt [＃mu＃-SiHAr]} _ 2 [n = 0 -2;的双铂配合物的合成，表征和X射线结构分析。 Ar = 2-isopyropyl-6-methyl（phenyl）]
4. Conformational studies of a monoclonal antibody, IgG1, by chemical oxidation: Structural analysis by UHPLC-ESI-ToF MS-multivariate data analysis [C] . Leila Zamani, Fredrik O. Andersson, Per Edebrink, ASMS Conference on Mass Spectrometry and Allied Topics . 2008

机译：通过化学氧化，单克隆抗体，IgG1的构象研究：UHPLC-ESI-TOF MS-多变量数据分析的结构分析
5. Synthesis, structural and photophysical characterization of phosphorescent three-coordinate Cu(i)-N-heterocyclic carbene complexes [D] . Krylova, Valentina 2013

机译：磷光三坐标Cu（i）-N-杂环卡宾配合物的合成，结构和光物理性质
6. Experimental spectral characterization Hirshfeld surface analysis DFT/TD-DFT calculations and docking studies of (2Z5Z)-5-(4-nitrobenzylidene)-3-N(2-methoxyphenyl)-2-N’(2-methoxyphenylimino) thiazolidin-4-one [O] . Ahmed Djafri, Fouzia Perveen, Nadia Benhalima, 2020

机译：实验光谱表征（2Z5Z）-5-（4-硝基苯基）-3-N（2-甲氧基苯基）-2-N（2-甲氧基苯基咪唑）（2-甲氧基苯基）（2-甲氧基苯基咪唑）（2-甲氧基苯基咪唑）的实验光谱表征DFT / TD-DFT计算和对接研究噻唑胺-4-一
7. Synthesis, structural characterization, photophysical properties and theoretical analysis of gold(I) thiolate-phosphine complexes [O] . Koshevoy, Igor O., Laguna, Antonio, Tunik, Sergey P., 2011

机译：硫醇金-膦（I）配合物的合成，结构表征，光物理性质和理论分析

Structural and photophysical characterization, topological and conformational analysis of 2-o-tolyl-4-(3-N,N-dimethylaminophenyl-methylene)-oxazol-5-one

摘要

著录项

相似文献

相关主题

期刊订阅