Crystal structure and Hirshfeld surface analyses, intermolecular interaction energies and energy frameworks of methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-nitrophenyl)-4<i>H</i>-pyran-3-carboxylate
The title compound, C<sub>17</sub>H<sub>15</sub>N<sub>3</sub>O<sub>7</sub>, contains pyran and phenyl rings, with the pyran ring exhibiting a flattened-boat conformation. In the crystal, inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into centrosymmetric dimers, forming <i>R</i> <sup>2</sup> <sub>2</sub>(12) ring motifs. These dimers are linked through N-H⋯O hydrogen bonds into a three-dimensional architecture. A Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are from H⋯O/O⋯H (29.7%), H⋯H (28.7%), H⋯C/C⋯H (16.0%) and H⋯N/N⋯H (12.9%) inter-actions. In addition to van der Waals inter-actions and N-H⋯N and N-H⋯O hydrogen bonds, halogen bonds, tetrel bonds and pnictogen bonds also play an important role in the cohesion of the crystal structure.
Authors
- H. M. Mamedov (ORCID: https://orcid.org/0000-0002-9980-9189)
- Victor N. Khrustalev (ORCID: https://orcid.org/0000-0001-8806-2975)
- I. G. Mamedov
- Alebel N. Belay (ORCID: https://orcid.org/0000-0003-4175-5656)
- Farid N. Naghiyev (ORCID: https://orcid.org/0009-0003-9325-1756)
- Jamshid Ashurov (ORCID: https://orcid.org/0000-0002-4441-2803)
- Tuncer Hökelek (ORCID: https://orcid.org/0000-0002-8602-4382)
Institutions
- Peoples' Friendship University of Russia (RU)
- Academy of Sciences Republic of Uzbekistan (UZ)
- Baku State University (AZ)
- N.D. Zelinsky Institute of Organic Chemistry (RU)
- Bahir Dar University (ET)
- Hacettepe University (TR)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2025-03-11
- DOI
- https://doi.org/10.1107/s2056989025001276
- Primary Topic
- Crystal structures of chemical compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Baki Dövlət Universiteti