两种同构的3-(5-芳氧基-3-甲基-1-苯基-1-吡唑-4-基)-1-(噻吩-2-基)丙-2-烯-1-酮：无序与超分子组装
Two isostructural 3-(5-ar-yloxy-3-methyl-1-phenyl-1-pyrazol-4-yl)-1-(thio-phen-2-yl)prop-2-en-1-ones: disorder and supra-molecular assembly.
作者信息
Shaibah Mohammed A E, Yathirajan Hemmige S, Manju Nagaraj, Kalluraya Balakrishna, Rathore Ravindranath S, Glidewell Christopher
机构信息
Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysuru-570 006, India.
Department of Studies in Chemistry, Mangalore University, Mangalagangotri, Mangalore-574 199, India.
出版信息
Acta Crystallogr E Crystallogr Commun. 2020 Jan 1;76(Pt 1):48-52. doi: 10.1107/S205698901901658X.
Two new chalcones containing both pyrazole and thio-phene substituents have been prepared and structurally characterized. 3-(3-Methyl-5-phen-oxy-1-phenyl-1-pyrazol-4-yl)-1-(thio-phen-2-yl)prop-2-en-1-one, CHNOS (I), and 3-[3-methyl-5-(2-methyl-phen-oxy)-1-phenyl-1-pyrazol-4-yl]-1-(thio-phen-2-yl)prop-2-en-1-one, CHNOS (II), are isomorphous as well as isostructural, and in each the thio-phene substituent is disordered over two sets of atomic sites having occupancies 0.844 (3) and 0.156 (3) in (I), and 0.883 (2) and 0.117 (2) in (II). In each structure, the mol-ecules are linked into sheets by a combination of C-H⋯N and C-H⋯O hydrogen bonds. Comparisons are made with some related compounds.
已经制备了两种含有吡唑和噻吩取代基的新型查尔酮，并对其结构进行了表征。3-(3-甲基-5-苯氧基-1-苯基-1-吡唑-4-基)-1-(噻吩-2-基)丙-2-烯-1-酮，CHNOS (I)，和3-[3-甲基-5-(2-甲基苯氧基)-1-苯基-1-吡唑-4-基]-1-(噻吩-2-基)丙-2-烯-1-酮，CHNOS (II)，是同构且同结构的，并且在每种结构中，噻吩取代基在两组原子位置上无序分布，在(I)中占有率分别为0.844 (3)和0.156 (3)，在(II)中占有率分别为0.883 (2)和0.117 (2)。在每种结构中，分子通过C-H⋯N和C-H⋯O氢键的组合连接成片。与一些相关化合物进行了比较。
Zotero 插件