| Yazarlar (4) |
Prof. Dr. Abdullah AYDIN
Kastamonu Üniversitesi, Türkiye |
Mehmet Akkurt
Erciyes Üniversitesi, Türkiye |
|
Zehra Tuğçe Gür Maz
Gazi Üniversitesi, Türkiye |
|
Erden Banoğlu
Gazi Üniversitesi, Türkiye |
| Özet |
| The title compound, C 13 H 12 Cl 2 N 2 O 2, crystallizes with six molecules in the asymmetric unit, such that, the 1H-pyrazole rings are essentially planar. The six molecules are stabilized by intramolecular CH··· N and CH··· Cl interactions and the crystal structure is stabilized by intermolecular CH··· O hydrogen bonds, forming molecular sheets into paralel to the (-1 1 0) plane. These sheets are connected to each other by CH··· O hydrogen bonds and CH··· π interactions. In the Hirshfeld surface analysis, the H··· H, Cl··· H/H··· Cl, C··· H/H··· C, O··· H/H··· O, N··· H/H··· N, Cl··· Cl, Cl··· O/O··· Cl interactions add to 95.8% of the intermolecular contacts of the Hirshfeld surface area. The remaining contributions (2.9%) correspond to Cl··· C/C··· Cl, C··· O/O··· C, O··· O and N··· N interactions. Crystal Data for C 13 H 12 Cl 2 N 2 O 2 (M= 299.15 g/mol): Triclinic, space group P-1 (no. 2), a= 12.0505 (10) Å, b= 12.3189 (11) Å, c= 29.184 (3) Å, α= 88.565 (4), β= 89.296 (4), γ= 76.833 (4), V= 4217.0 (7) Å 3, Z= 12, T= 296 (2) K, μ (MoKα)= 0.460 mm-1, Dcalc= 1.414 g/cm 3, 83073 reflections measured (2.8≤ 2Θ≤ 47), 12426 unique (R int= 0.0411, R sigma= 0.0235) which were used in all calculations. The final R 1 was 0.0662 (I> 2σ (I)) and wR 2 was 0.2481 (all data). |
| Anahtar Kelimeler |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | Uluslararası alan indekslerindeki dergilerde yayınlanan tam makale |
| Dergi Adı | European Journal of Chemistry |
| Dergi ISSN | 2153-2257 |
| Dergi Tarandığı Indeksler | CAS Source Index (CASSI) |
| Makale Dili | İngilizce |
| Basım Tarihi | 01-2018 |
| Cilt No | 9 |
| Sayı | 4 |
| Sayfalar | 347 / 352 |
| Doi Numarası | 10.5155/eurjchem.9.4.347-352.1782 |
| Makale Linki | http://dx.doi.org/10.5155/eurjchem.9.4.347-352.1782 |
| Atıf Sayıları | |
| Google Scholar | 2 |
