Synthesis, Structural Analysis, and Biological Activities of Some Imidazolium Salts
Table 1
Some selected geometrical parameters of the common properties of the investigated molecules.
LA
LB
LC
LD
L
Selected bond lengths (Å)
C1-H1
1.102
1.043
1.061
1.095
0.976
C1-N1
1.295
1.301
—
—
1.312 (7)
C3-N1
1.403
1.398
1.335
1.396
1.374 (8)
C2-C3
1.297
1.332
1.366
1.314
1.312 (10)
C4-N2
1.464
1.437
1.418
1.523
1.444 (8)
N1-C5
1.464
1.474
1.429
1.505
1.444 (8)
C7B-O1B
—
1.204
—
—
1.241 (8)
N3B(D)-H3B(D)
—
1.015
—
1.013
1.010
Selected bond angles (°)
N1-C1-N2
108.7
112.6
111.7
108.9
109.2 (6)
C1-N1-C3
108.9
105.7
108.9
108.6
107.9 (5)
C1-N1-C5
125.1
127.6
126.0
126.0
126.2 (5)
C4-N2-C1
125.1
126.5
126.9
125.2
126.2 (5)
H2-C2-N2
122.6
121.8
121.8
122.3
123.4
C3-C2-H2
130.6
129.4
129.9
130.5
128.2
Selected dihedral angles (°)
C4-N2-C1-N1
177.5
179.2
179.6
178.6
178.4 (5)
N2-C2-C3-N1
0.2
0.4
0.3
0.1
0.9 (8)
C5-N1-C1-N2
177.5
175.1
179.1
179.6
178.4 (5)
C5-N1-C3-C2
177.7
175.2
179.8
179.7
177.9 (6)
The data of the molecule showed by L in the last column reflect the X-ray diffraction measurements and calculated values on 1,3-bis(acetamide)imidazol-3-ium bromide as given in [22]. The numbers in the paranthesis indicates the experimental error margins on the specific measurements. The labeled and numbered atoms in the first column are presented for each molecule in Scheme 1.
