Unknown

Dataset Information

0

Crystal structure and Hirshfeld surface analysis of 6-amino-8-phenyl-1,3,4,8-tetra-hydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbo-nitrile.

ABSTRACT: In the title compound, C16H15N5, the 1,4-di-hydro-pyridine ring has a shallow boat conformation, while the 1,3-diazinane ring adopts an envelope conformation. In the crystal, pairwise N-H⋯N hydrogen bonds generate centrosymmetric dimers featuring R 2 2(12) motifs and C-H⋯N contacts connect these dimers to form double layers lying parallel to (001). Weak C-H⋯π and N-H⋯π inter-actions help to consolidate the double layers and van der Waals inter-actions occur between layers. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from H⋯H (38.5%), N⋯H/H⋯N (33.3%) and C⋯H/H⋯C (27.3%) contacts.

SUBMITTER: Naghiyev FN 

PROVIDER: S-EPMC8100277 | biostudies-literature | 2021 May

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

Crystal structure and Hirshfeld surface analysis of 6-amino-8-phenyl-1,3,4,8-tetra-hydro-2<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidine-7,9-dicarbo-nitrile.

Naghiyev Farid N FN   Tereshina Tatiana A TA   Khrustalev Victor N VN   Akkurt Mehmet M   Khalilov Ali N AN   Akobirshoeva Anzurat A AA   Mamedov İbrahim G İG  

Acta crystallographica. Section E, Crystallographic communications 20210409 Pt 5

In the title compound, C<sub>16</sub>H<sub>15</sub>N<sub>5</sub>, the 1,4-di-hydro-pyridine ring has a shallow boat conformation, while the 1,3-diazinane ring adopts an envelope conformation. In the crystal, pairwise N-H⋯N hydrogen bonds generate centrosymmetric dimers featuring <i>R</i> <sup>2</sup> <sub>2</sub>(12) motifs and C-H⋯N contacts connect these dimers to form double layers lying parallel to (001). Weak C-H⋯π and N-H⋯π inter-actions help to consolidate the double layers and van der Wa  ...[more]

Similar Datasets

Unknown Crystal structure and Hirshfeld surface analysis of 6-imino-8-(4-methyl-phen-yl)-1,3,4,6-tetra-hydro-2<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidine-7,9-dicarbo-nitrile.
| S-EPMC10993597 | biostudies-literature
Unknown 6-Amino-2-methyl-8-phenyl-1,2,3,4-tetra-hydro-iso-quinoline-5,7-dicarbo-nitrile.
| S-EPMC3685078 | biostudies-literature
Unknown Crystal structures and Hirshfeld surface analyses of 2-amino-4-(4-bromo-phen-yl)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile hemi-hydrate and 1,6-di-amino-2-oxo-4-phenyl-1,2-di-hydro-pyridine-3,5-dicarbo-nitrile.
| S-EPMC9361375 | biostudies-literature
Unknown 3,12-Dimeth-oxy-5,6,9,10-tetra-hydro-[5]helicene-7,8-dicarbo-nitrile.
| S-EPMC4158476 | biostudies-literature
Unknown 1,3,3-Trimethyl-1,2,3,4-tetra-hydro-pyrido[1,2-a]benzimidazol-1-ol.
| S-EPMC3006987 | biostudies-literature
Unknown 4,5-Diphen-oxy-benzene-1,2-dicarbo-nitrile.
| S-EPMC3297324 | biostudies-literature
Unknown trans-1-Phenyl-pyrrolidine-2,5-dicarbo-nitrile.
| S-EPMC2979938 | biostudies-literature
Unknown 4-Phenyl-1,2,3,4-tetra-hydro-pyrimido[1,2-a]benzimidazol-2-one.
| S-EPMC2959681 | biostudies-literature
Unknown 6-Benzyl 4-ethyl 2-chloro-5,6,7,8-tetra-hydro-pyrido[4,3-d]pyrimidine-4,6-di-carboxyl-ate.
| S-EPMC3200750 | biostudies-literature
Unknown 5-Methyl-3,6,7,8a-tetra-hydro-2H-diimidazo[1,2-c:1',2'-e]pyrido[1,2-a][1,3,5]triazin-5-ium iodide.
| S-EPMC2979596 | biostudies-literature