At 100â K, the title compound, C(13)H(12)N(2)O(2), crystallizes in the ortho-rhom-bic space group Pna2(1) with two very similar mol-ecules in the asymmetric unit. An intra-molecular N-Hâ¯O hydrogen bond leads to an S(6) graph-set motif in each of the mol-ecules. Inter-molecular Ï-Ï stacking and C=Oâ¯Ï inter-actions involving the aldehyde O atoms link mol-ecules into stacks parallel to [100]. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing stem from Hâ¯H (49.4%) and Hâ¯O/Oâ¯H (21.5%) inter-actions. Energy framework calculations reveal a significant contribution of dispersion energy. The crystal studied was refined as a two-component inversion twin.
Crystal structure, Hirshfeld surface analysis and energy framework study of 6-formyl-7,8,9,11-tetra-hydro-5H-pyrido[2,1-b]quinazolin-11-one.
阅读:3
作者:Tojiboev Akmal, Zhurakulov Sherzod, Vinogradova Valentina, Englert Ulli, Wang Ruimin
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2021 | 起止号: | 2021 Jan 1; 77(Pt 1):47-51 |
| doi: | 10.1107/S2056989020016059 | ||
特别声明
1、本页面内容包含部分的内容是基于公开信息的合理引用;引用内容仅为补充信息,不代表本站立场。
2、若认为本页面引用内容涉及侵权,请及时与本站联系,我们将第一时间处理。
3、其他媒体/个人如需使用本页面原创内容,需注明“来源:[生知库]”并获得授权;使用引用内容的,需自行联系原作者获得许可。
4、投稿及合作请联系:info@biocloudy.com。
