Quinazoline-2,4(1H,3H)-dione
In the title compound, C8H6N2O2, intermolecular N—H...O hydrogen bonds involving the amine and carbonyl groups create centrosymmetric dimers between adjacent nearly coplanar molecules. These dimers are further connected by weak N—H...O hydrogen bonds, forming a two-dimensional ne...
| Main Author: | |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2008-09-01
|
| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536808024240 |
| _version_ | 1828130426512736256 |
|---|---|
| author | Ge Liu |
| author_facet | Ge Liu |
| author_sort | Ge Liu |
| collection | DOAJ |
| description | In the title compound, C8H6N2O2, intermolecular N—H...O hydrogen bonds involving the amine and carbonyl groups create centrosymmetric dimers between adjacent nearly coplanar molecules. These dimers are further connected by weak N—H...O hydrogen bonds, forming a two-dimensional network. Molecules are packed in the crystal structure with adjacent benzene and pyrimidine rings approximately coplanar; the centroid–centroid separation is 3.863 Å and the dihedral angle between the mean planes is 0.64°, indicating the presence of weak intermolecular face-to-face π–π stacking interactions. |
| first_indexed | 2024-04-11T16:33:59Z |
| format | Article |
| id | doaj.art-989dc02b886e4f568fc296ec8339c8f0 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-04-11T16:33:59Z |
| publishDate | 2008-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-989dc02b886e4f568fc296ec8339c8f02022-12-22T04:13:55ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682008-09-01649o1677o167710.1107/S1600536808024240Quinazoline-2,4(1H,3H)-dioneGe LiuIn the title compound, C8H6N2O2, intermolecular N—H...O hydrogen bonds involving the amine and carbonyl groups create centrosymmetric dimers between adjacent nearly coplanar molecules. These dimers are further connected by weak N—H...O hydrogen bonds, forming a two-dimensional network. Molecules are packed in the crystal structure with adjacent benzene and pyrimidine rings approximately coplanar; the centroid–centroid separation is 3.863 Å and the dihedral angle between the mean planes is 0.64°, indicating the presence of weak intermolecular face-to-face π–π stacking interactions.http://scripts.iucr.org/cgi-bin/paper?S1600536808024240 |
| spellingShingle | Ge Liu Quinazoline-2,4(1H,3H)-dione Acta Crystallographica Section E |
| title | Quinazoline-2,4(1H,3H)-dione |
| title_full | Quinazoline-2,4(1H,3H)-dione |
| title_fullStr | Quinazoline-2,4(1H,3H)-dione |
| title_full_unstemmed | Quinazoline-2,4(1H,3H)-dione |
| title_short | Quinazoline-2,4(1H,3H)-dione |
| title_sort | quinazoline 2 4 1h 3h dione |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536808024240 |
| work_keys_str_mv | AT geliu quinazoline241h3hdione |