M N11 and the half-protonated nitrogen atom N 7 of 17 which guarantees that charge balance is preserved. Hence, the crystal structure is actually a mixture of mono-cations and di-cations of compound three. The disordered Br- anion (1/2 p molecule of three) and solvent molecules (0.25 DMF per molecule and – H2O per molecu 1 1:1 mixture of mono-cations and di-cations of compound 3. The disordered Br anion (1/2 are situated in the Galunisertib manufacturer channel in the blur of electron density (Figure four). per molecule of three) and solvent molecules (0.25 DMF per molecule and 1 H2 O per molecule) In structure 1, ribbons are formed by density (Figure 4). are located in the channel from the blur of electronhydrogen bonds from the studied molecule w waterIn structure 1, ribbons (C1,2(four) symbol–according of your studied molecule with Bernst molecules and Br2 are formed by hydrogen bonds to the graph-set theory of water molecules and Br2 (C1,two(four)ribbons are PX-12 Cancer joined for the graph-set theory of Bern[31]–Figure 6, Table 2). These symbol–according together by hydrogen bonding, N11 stein Br1 and C24–H24 These ribbons and weaker bonds hydrogen bonding, H11 31]–Figure 6, Table two). Br1 (R2,four(22)),are joined collectively byto C27–H27 N29 (R2,2 N11–H11 interaction (3.241(1) (R2,4(22)), and weaker bonds the layered packing on the stacking Br1 and C24–H24 Br1 additionally stabilizes to C27–H27 N29 (R2,2(8). The stacking interaction (3.241(1) additionally stabilizes the layered packing of molecules. Water molecules and bromide ions fill the gaps in between the moleculesmolecules bromide ions fill the gaps involving the of your molecules. Water molecules and compound 1, and they line upup along [100][100] direction (Figure 7). 1, and they line along the the path (Figure 7). compound(a)(b)Figure six. The intermolecular hydrogen bonds in compound 1. (a) Powerful hydrogenhydrogen all Figure six. The intermolecular hydrogen bonds in compound 1. (a) Powerful bonds, (b) bonds, (b) hydrogen bonds. [Symmetry code: (i) x-1, y, z;y, z; (ii)-y, -z2; (iii) -x, –x, -y1, -z1; (iv) -x1, -y hydrogen bonds. [Symmetry code: (i) x-1, (ii) -x, -x, -y, -z2; (iii) y1, -z1; (iv) -x1, -z2.]. -z2.]. -y1,Table two. Strong hydrogen-bond geometry ( for 1. Symmetry codes: (i) x-1, y, z. D–H O1–H1D r2 O1–H1E r2i N11–H11 r1 N26–H26 1 D–H 0.83 (five) 0.74 (6) 0.90 (4) 0.83 (5) H two.47 (5) two.85 (5) two.27 (four) 1.84 (five) D three.263 (3) 3.436 (three) three.169 (three) 2.666 (4) D–H 161 (five) 138 (six) 174 (4) 176 (6)In structure two, a strong hydrogen bond, N11–H11 r1, is formed (Figure eight, Table 3). In addition, the molecule of compound 2 forms a hydrogen bond, C24–H24 31, using the DMF molecule. DMF molecules fill the channel formed along the [010] direction (Figure 9).Figure 7. The crystal packing of 1, viewed along the a-axis, where a, b and c denote unit cell axe(b)Supplies 2021, 14,Figure six. The intermolecular hydrogen bonds in compound 1. (a) Strong hydrogen 8 of 17 (b) all bonds, hydrogen bonds. [Symmetry code: (i) x-1, y, z; (ii) -x, -y, -z2; (iii) -x, -y1, -z1; (iv) -x1, -y1, -z2.].9 ofMaterials 2021, 14, x FOR PEER REVIEWTable two. Powerful hydrogen-bond geometry ( for 1. Symmetry codes: (i) x-1, y, z.D–H O1–H1D r2 O1–H1E r2i N11–H11 r1 N26–H26D–H 0.83 (5) 0.74 (6) 0.90 (four) 0.83 (5)H two.47 (five) 2.85 (5) two.27 (4) 1.84 (5)D three.263 (three) 3.436 (3) 3.169 (3) two.666 (four)D–H 161 (5) 138 (six) 174 (four) 176 (six)In structure 2, a powerful hydrogen bond, N11–H11 r1, is formed (Figure eight, Table 3). Furthermore, the molecule of compound 2 types a hydrogen bond, C24–H.