| Yazarlar (4) |
Prof. Dr. Abdullah AYDIN
Kastamonu Üniversitesi, Türkiye |
AKKURT MEHMET
Erciyes Üniversitesi, Türkiye |
|
ŞÜKÜROĞLU MURAT KADİR
Gazi Üniversitesi, Türkiye |
|
BÜYÜKGÜNGÖR ORHAN
Ondokuz Mayıs Üniversitesi, Türkiye |
| Özet |
| In the title compound, C14H14ClN3O2, the morpholine ring adopts a chair conformation, with the exocyclic N-C bond in an equatorial orientation. The 1,6-dihydropyridazine ring is essentially planar, with a maximum deviation of 0.014 (1) Å, and forms a dihedral angle of 40.16 (7)° with the plane of the benzene ring. In the crystal, pairs of centrosymmetrically related molecules are linked into dimers via N-H···O hydrogen bonds, forming R22(8) ring motifs. The dimers are connected via C-H···O and C-H···Cl hydrogen bonds, forming a three-dimensional network. Aromatic π-π stacking interactions [centroid-centroid distance = 3.6665 (9) Å] are also observed. Semi-empirical molecular orbital calculations were carried out using the AM1 method. The calculated dihedral angles between the pyridizine and benzene rings and between the pyridizine and morpholine (all atoms) rings are 34.49 and 76.96°, respectively·The corresponding values obtained from the X-ray structure determination are 40.16 (7) and 12.97 (9)°, respectively. The morpholine ring of the title compound in the calculated gas-phase seems to have a quite different orientation compared to that indicated by the X-ray structure determination. |
| Anahtar Kelimeler |
| Crystal structure | Hydrogen bonding | Pyridazinone derivative | π-π stacking interactions |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | ESCI dergilerinde yayımlanan tam makale |
| Dergi Adı | Acta Crystallographica Section E Crystallographic Communications |
| Dergi ISSN | 2056-9890 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | ESCI |
| Makale Dili | İngilizce |
| Basım Tarihi | 07-2015 |
| Cilt No | 71 |
| Sayı | 1 |
| Sayfalar | 944 / 946 |
| Doi Numarası | 10.1107/S2056989015012980 |
| Makale Linki | http://dx.doi.org/10.1107/s2056989015012980 |
| Atıf Sayıları | |
| WoS | 2 |
| SCOPUS | 3 |
| Google Scholar | 5 |
