首页> 外文OA文献 >The crystal structures of two chalcones: (2E)-1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)prop-2-en-1-one and (2E)-1-(anthracen-9-yl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one
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The crystal structures of two chalcones: (2E)-1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)prop-2-en-1-one and (2E)-1-(anthracen-9-yl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one

机译:两个查耳酮的晶体结构:(2E)-1-(5-氯噻吩-2-基)-3-(2-甲基苯基)丙-2-烯-1-酮和(2 E )-1-(蒽-9-基)-3- [4-(丙烷-2-基)苯基] prop-2-en-1-one

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摘要

In the crystal of compound (I), CHClOS, molecules are linked by C---H···O hydrogen bonds to form simple it (5) chains. Compound (II), CHO, crystallizes with it = 2 in space group it -1; one of the molecules is fully ordered but the other is disordered over two sets of atomic sites having occupancies 0.644 (3) and 0.356 (3). The two disordered components differ from one another in the orientation of the isopropyl substituents, and both differ from the ordered molecules in the arrangement of the central propenone spacer unit, so that the crystal of (II) contains three distinct conformers. The ordered and disordered conformers each form a it (8) chain built from a single type of C---H···O hydrogen bond but those formed by the disordered conformers differ from that formed by the ordered form.
机译:在化合物(I)的晶体CHClOS中,分子通过C-H··O氢键连接以形成简单的(5)链。化合物(II)CHO在空间群中为-1时结晶为= 2;其中一个分子是完全有序的,但另一个分子在两组原子位置为0.644(3)和0.356(3)的原子上无序。两种无序组分在异丙基取代基的方向上彼此不同,并且在中央丙烯酮间隔单元的排列上均与有序分子不同,因此(II)的晶体包含三个不同的构象体。有序和无序的构象异构体各自形成由单一类型的C --- H··O氢键构成的it(8)链,但由无序的构象异构体形成的构象与有序构象的构象不同。

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