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	0.03215 (17)	0.03700 (18)	0.02937 (16)	−0.01980 (13)	0.00018 (11)	−0.00912 (12)
O1	0.0553 (6)	0.0235 (4)	0.0299 (4)	−0.0195 (4)	0.0110 (4)	−0.0083 (3)
O2	0.0618 (7)	0.0351 (5)	0.0256 (4)	−0.0271 (5)	0.0103 (4)	−0.0110 (4)
O3	0.0435 (5)	0.0304 (5)	0.0294 (5)	−0.0118 (4)	0.0015 (4)	0.0013 (4)
O4	0.0384 (5)	0.0358 (5)	0.0410 (5)	−0.0222 (4)	0.0093 (4)	−0.0076 (4)
N1	0.0320 (5)	0.0225 (4)	0.0283 (5)	−0.0115 (4)	0.0071 (4)	−0.0059 (4)
N2	0.0284 (5)	0.0233 (4)	0.0237 (4)	−0.0109 (4)	0.0018 (4)	−0.0031 (4)
C1	0.0248 (5)	0.0192 (4)	0.0228 (5)	−0.0082 (4)	0.0023 (4)	−0.0055 (4)
C2	0.0233 (5)	0.0219 (5)	0.0243 (5)	−0.0094 (4)	0.0020 (4)	−0.0078 (4)
C3	0.0262 (5)	0.0228 (5)	0.0224 (5)	−0.0074 (4)	0.0012 (4)	−0.0053 (4)
C4	0.0266 (5)	0.0186 (5)	0.0260 (5)	−0.0087 (4)	0.0048 (4)	−0.0040 (4)
C5	0.0264 (5)	0.0230 (5)	0.0304 (6)	−0.0117 (4)	0.0003 (4)	−0.0062 (4)
C6	0.0283 (5)	0.0229 (5)	0.0248 (5)	−0.0102 (4)	−0.0024 (4)	−0.0044 (4)
C7	0.0273 (5)	0.0223 (5)	0.0240 (5)	−0.0111 (4)	0.0012 (4)	−0.0049 (4)
C8	0.0307 (6)	0.0265 (5)	0.0246 (5)	−0.0113 (4)	0.0052 (4)	−0.0044 (4)
C9	0.0313 (6)	0.0221 (5)	0.0269 (5)	−0.0092 (4)	0.0032 (4)	−0.0056 (4)
C10	0.0246 (5)	0.0220 (5)	0.0235 (5)	−0.0080 (4)	−0.0016 (4)	−0.0016 (4)
C11	0.0240 (5)	0.0245 (5)	0.0217 (5)	−0.0085 (4)	−0.0012 (4)	−0.0024 (4)
C12	0.0294 (6)	0.0327 (6)	0.0265 (5)	−0.0109 (5)	0.0032 (4)	−0.0049 (5)
C13	0.0355 (7)	0.0431 (7)	0.0315 (6)	−0.0110 (6)	0.0085 (5)	−0.0148 (5)
C14	0.0392 (7)	0.0349 (6)	0.0389 (7)	−0.0094 (5)	0.0037 (5)	−0.0184 (5)
C15	0.0336 (6)	0.0262 (5)	0.0324 (6)	−0.0105 (5)	0.0001 (5)	−0.0093 (5)
C16	0.0254 (5)	0.0238 (5)	0.0228 (5)	−0.0083 (4)	−0.0014 (4)	−0.0046 (4)
C17	0.0326 (6)	0.0240 (5)	0.0314 (6)	−0.0128 (5)	0.0027 (5)	−0.0020 (4)