Role of pK a in establishing the crystal structures of six hydrogen-bonded compounds of 4-methyl­quinoline with different isomers of chloro- and nitro-substituted benzoic acids

. 2021 Oct 26;77(Pt 11):1144–1152. doi: 10.1107/S2056989021010896

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cl1	0.02892 (13)	0.04837 (17)	0.02927 (14)	−0.01052 (10)	0.00070 (10)	0.00234 (10)
O1	0.0339 (4)	0.0411 (4)	0.0395 (4)	−0.0140 (3)	−0.0068 (3)	0.0110 (3)
O2	0.0414 (4)	0.0382 (4)	0.0302 (4)	−0.0095 (3)	−0.0086 (3)	0.0001 (3)
O3	0.0310 (4)	0.0465 (5)	0.0587 (6)	0.0088 (3)	−0.0142 (4)	−0.0051 (4)
O4	0.0398 (4)	0.0503 (5)	0.0349 (4)	−0.0183 (4)	−0.0104 (3)	−0.0065 (3)
N1	0.0232 (4)	0.0370 (4)	0.0265 (4)	−0.0061 (3)	−0.0045 (3)	−0.0013 (3)
N2	0.0233 (4)	0.0298 (4)	0.0324 (4)	−0.0037 (3)	−0.0010 (3)	0.0027 (3)
C1	0.0232 (4)	0.0226 (4)	0.0273 (4)	−0.0020 (3)	−0.0026 (3)	−0.0029 (3)
C2	0.0211 (4)	0.0241 (4)	0.0254 (4)	−0.0013 (3)	−0.0045 (3)	−0.0049 (3)
C3	0.0240 (4)	0.0259 (4)	0.0255 (4)	−0.0036 (3)	−0.0013 (3)	−0.0040 (3)
C4	0.0318 (5)	0.0327 (5)	0.0265 (4)	0.0001 (4)	−0.0067 (4)	−0.0010 (4)
C5	0.0264 (5)	0.0354 (5)	0.0350 (5)	0.0005 (4)	−0.0103 (4)	−0.0041 (4)
C6	0.0219 (4)	0.0291 (5)	0.0350 (5)	−0.0025 (3)	−0.0043 (4)	−0.0038 (4)
C7	0.0263 (4)	0.0258 (4)	0.0292 (5)	−0.0017 (3)	−0.0010 (4)	−0.0009 (3)
C8	0.0259 (5)	0.0310 (5)	0.0428 (6)	−0.0037 (4)	−0.0042 (4)	−0.0056 (4)
C9	0.0287 (5)	0.0403 (6)	0.0339 (5)	0.0020 (4)	−0.0074 (4)	−0.0103 (4)
C10	0.0244 (4)	0.0352 (5)	0.0261 (4)	0.0056 (4)	−0.0021 (4)	−0.0015 (4)
C11	0.0211 (4)	0.0279 (4)	0.0269 (4)	0.0010 (3)	0.0004 (3)	−0.0007 (3)
C12	0.0340 (5)	0.0270 (5)	0.0388 (6)	−0.0009 (4)	0.0016 (4)	−0.0004 (4)
C13	0.0370 (6)	0.0336 (5)	0.0506 (7)	−0.0034 (4)	−0.0027 (5)	−0.0126 (5)
C14	0.0342 (5)	0.0488 (7)	0.0385 (6)	0.0007 (5)	−0.0064 (5)	−0.0164 (5)
C15	0.0286 (5)	0.0429 (6)	0.0259 (5)	0.0003 (4)	−0.0032 (4)	−0.0029 (4)
C16	0.0190 (4)	0.0299 (5)	0.0268 (4)	−0.0007 (3)	−0.0002 (3)	−0.0009 (3)
C17	0.0474 (7)	0.0469 (7)	0.0275 (5)	0.0104 (5)	−0.0033 (5)	0.0028 (4)