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首页> 外文期刊>Journal of Chemical Crystallography >Diverse Confirmations in the Crystal Structures of 2,3-Dihydro-2,2-dimethylquinazolin-4(1H)-one Derivatives
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Diverse Confirmations in the Crystal Structures of 2,3-Dihydro-2,2-dimethylquinazolin-4(1H)-one Derivatives

机译：2,3-二氢-2,2-二甲基喹唑啉-4（1H）-一衍生物的晶体结构中的各种确认。

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摘要

The 3-(propan-2-ylideneamino)-2,3-dihydro-2,2-dimethylquinazolin-4(1H)-one and 3-(3-nitrobenzylideneamino)-2,3-dihydro-2,2-dimethylquinazolin-4(1H)-one were synthesized and characterized by IR, 1H NMR and HRMS. The molecular structures were further confirmed by X-ray diffraction analysis. The former 1, C13H17N3O, is monoclinic, space group P2(1)/c, a = 9.056(2), b = 9.439(2), c = 14.872(3) Å, β = 133.121(12)°, Z = 4, V = 1270.9(5) Å3. The latter 2, C17H16N4O3, is also monoclinic, space group P2(1)/c, a = 10.0006(2), b = 12.2298(3), c = 13.3255(3) Å, β = 96.602(2)°, Z = 4, V = 1618.97(6) Å3. It is very interesting that the pyrimidine ring in the 1 adopts a half-chair confirmation, while adapting a skew-boat one in the structure of 2.
机译：3-（丙烷-2-亚烷基氨基）-2,3-二氢-2,2-二甲基喹唑啉-4（1H）-一和3-（3-硝基苄基亚氨基氨基）-2,3-二氢-2,2-二甲基喹唑啉-合成了4（1H）-1，并通过IR，1 H NMR和HRMS表征。通过X射线衍射分析进一步确认了分子结构。前一个1，C13 H17 N3 O是单斜的，空间群P2（1）/ c，a = 9.056（2），b = 9.439（2），c = 14.872 （3）Å，β= 133.121（12）°，Z = 4，V = 1270.9（5）Å3。后者2，C17 H16 N4 O3 也是单斜的，空间群P2（1）/ c，a = 10.0006（2），b = 12.2298（3 ），c = 13.3255（3）Å，β= 96.602（2）°，Z = 4，V = 1618.97（6）Å3。有趣的是，1中的嘧啶环采用半椅子确认，而2结构中的偏斜环采用了偏椅。

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  • 来源
    《Journal of Chemical Crystallography》 |2012年第7期|p.701-705|共5页
  • 作者

    Jie Sheng; Mei-Mei Zhang; Lian Lu; Xiang-Shan Wang;

  • 作者单位

    School of Chemistry and Chemical Engineering, Jiangsu Key Laboratory of Green Synthetic Chemistry for Functional Materials, Jiangsu Normal University, Xuzhou, 221116, Jiangsu, People’s Republic of China;

    School of Chemistry and Chemical Engineering, Jiangsu Key Laboratory of Green Synthetic Chemistry for Functional Materials, Jiangsu Normal University, Xuzhou, 221116, Jiangsu, People’s Republic of China;

    School of Chemistry and Chemical Engineering, Jiangsu Key Laboratory of Green Synthetic Chemistry for Functional Materials, Jiangsu Normal University, Xuzhou, 221116, Jiangsu, People’s Republic of China;

    School of Chemistry and Chemical Engineering, Jiangsu Key Laboratory of Green Synthetic Chemistry for Functional Materials, Jiangsu Normal University, Xuzhou, 221116, Jiangsu, People’s Republic of China;

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  • 正文语种 eng
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  • 关键词

    Quinazoline; Confirmation; Hydrogen bond; Infrared; Nmr;

    机译：喹唑啉;确认;氢键;红外;Nmr;

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