Shahri Nurulizzatul Ningsheh M, Omar Ali Nur Halilatul Sadiqin, Sheikh Abdul Hamid Malai Haniti, Mirza Aminul Huq, Usman Anwar, Hoq Md Rejaul, Karim Mohammad R
Chemical Sciences, Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link BE1410, Negara Brunei Darussalam.
Department of Chemistry, Tennessee State University, 2500 John A. Merritt Blvd., Nashville, Tennessee, TN 37209, USA.
IUCrdata. 2020 Feb 3;5(Pt 2):x200134. doi: 10.1107/S2414314620001340. eCollection 2020 Feb.
The title hemihydrate, CHN·0.5HO, was isolated from the condensation reaction of quinoline-2-carbaldehyde with 4-amino-4-1,2,4-triazole. The Schiff base mol-ecule adopts an configuration about the C=N bond and is approximately planar, with a dihedral angle between the quinoline ring system and the 1,2,4-triazole ring of 12.2 (1)°. In the crystal, one water mol-ecule bridges two Schiff base mol-ecules O-H⋯N hydrogen bonds. The Schiff base mol-ecules are inter-connected by π-π stacking inter-actions [centroid-centroid distances of 3.7486 (7) and 3.9003 (7) Å] into columns along [10].
半水合物CHN·0.5HO是通过喹啉-2-甲醛与4-氨基-4-1,2,4-三唑的缩合反应分离得到的。席夫碱分子围绕C=N键采取反式构型且近似平面,喹啉环系与1,2,4-三唑环之间的二面角为12.2 (1)°。在晶体中,一个水分子通过O-H⋯N氢键连接两个席夫碱分子。席夫碱分子通过π-π堆积相互作用[质心-质心距离为3.7486 (7) 和3.9003 (7) Å]沿[10]方向连接成列。