Yazarlar |
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 |
In the title compound, C16 H13 Cl2 N3 O3 S2, the thiophene ring is disordered in a 0.762 (3):0.238 (3) ratio by an approximate 180°rotation of the ring around the S - C bond linking the ring to the sulfonyl unit. The dichlorobenzene group is also disordered over two sets of sites with the same occupancy ratio. The molecular conformation is stabilized by intramolecular C - H...Cl and C - H...N hydrogen bonds, forming rings with graph-set notation S(5). In the crystal, pairs of molecules are linked by N - H...O and C - H...O hydrogen bonds, forming inversion dimers with graph-set notation R 2 2 (8) and R 1 2 (11), which are connected by C - H...O hydrogen-bonding interactions into ribbons parallel to (100). The ribbons are further connected into a three-dimensional network by C - H...π interactions and π-π stacking interactions between benzene and thiophene rings, with centroid-to-centroid distances of 3.865 (2), 3.867 (7) and 3.853 (2) Å. Hirshfeld surface analysis has been used to confirm and quantify the supramolecular interactions. |
Anahtar Kelimeler |
1 H -pyrazole ring | crystal structure | dimer | disorder | hydrogen-bonding patterns | thiophene ring |
Makale Türü | Özgün Makale |
Makale Alt Türü | ESCI dergilerinde yayımlanan tam makale |
Dergi Adı | ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS |
Dergi ISSN | 2056-9890 |
Dergi Tarandığı Indeksler | ESCI |
Makale Dili | İngilizce |
Basım Tarihi | 05-2018 |
Cilt No | 74 |
Sayı | 1 |
Sayfalar | 747 / 751 |
Doi Numarası | 10.1107/S2056989018006242 |
Makale Linki | http://dx.doi.org/10.1107/s2056989018006242 |