Crystal structure, Hirshfeld surface analysis and density functional theory study of benzyl 2-oxo-1-(prop-2-yn-1-yl)-1,2-di­hydro­quinoline-4-carboxyl­ate

. 2021 Jul 23;77(Pt 8):824–828. doi: 10.1107/S2056989021007416

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
O1	0.0257 (3)	0.0298 (3)	0.0496 (4)	−0.0088 (3)	0.0203 (3)	−0.0130 (3)
O2	0.0222 (3)	0.0270 (3)	0.0474 (4)	−0.0083 (2)	0.0127 (3)	−0.0108 (3)
O3	0.0263 (3)	0.0234 (3)	0.0276 (3)	−0.0089 (2)	0.0067 (2)	−0.0090 (2)
N1	0.0171 (3)	0.0150 (3)	0.0224 (3)	−0.0026 (2)	0.0026 (2)	−0.0004 (2)
C1	0.0176 (3)	0.0148 (3)	0.0171 (3)	0.0000 (2)	0.0009 (2)	0.0012 (2)
C2	0.0242 (3)	0.0177 (3)	0.0208 (3)	−0.0006 (3)	0.0015 (3)	−0.0023 (2)
C3	0.0270 (4)	0.0233 (4)	0.0240 (3)	0.0028 (3)	0.0041 (3)	−0.0051 (3)
C4	0.0219 (3)	0.0277 (4)	0.0265 (4)	0.0025 (3)	0.0070 (3)	−0.0035 (3)
C5	0.0182 (3)	0.0223 (3)	0.0232 (3)	0.0000 (2)	0.0040 (2)	−0.0010 (3)
C6	0.0160 (3)	0.0154 (3)	0.0174 (3)	0.0005 (2)	0.0011 (2)	0.0012 (2)
C7	0.0165 (3)	0.0145 (3)	0.0186 (3)	−0.0011 (2)	0.0013 (2)	0.0007 (2)
C8	0.0196 (3)	0.0164 (3)	0.0260 (3)	−0.0028 (2)	0.0059 (3)	−0.0032 (2)
C9	0.0191 (3)	0.0178 (3)	0.0284 (4)	−0.0025 (2)	0.0068 (3)	−0.0027 (3)
C10	0.0197 (3)	0.0192 (3)	0.0281 (4)	−0.0051 (3)	0.0013 (3)	−0.0009 (3)
C11	0.0237 (3)	0.0219 (4)	0.0332 (4)	−0.0062 (3)	0.0072 (3)	0.0002 (3)
C12	0.0313 (4)	0.0291 (4)	0.0484 (6)	−0.0021 (4)	0.0138 (4)	0.0106 (4)
C13	0.0183 (3)	0.0167 (3)	0.0213 (3)	−0.0018 (2)	0.0008 (2)	−0.0001 (2)
C14	0.0295 (4)	0.0249 (4)	0.0247 (4)	−0.0092 (3)	0.0008 (3)	−0.0067 (3)
C15	0.0230 (3)	0.0217 (3)	0.0250 (3)	−0.0049 (3)	0.0034 (3)	−0.0082 (3)
C16	0.0268 (4)	0.0337 (5)	0.0345 (4)	0.0020 (3)	0.0016 (3)	−0.0126 (4)
C17	0.0522 (7)	0.0316 (5)	0.0426 (6)	0.0117 (5)	−0.0067 (5)	−0.0085 (4)
C18	0.0824 (10)	0.0299 (5)	0.0385 (6)	−0.0013 (6)	0.0066 (6)	0.0026 (4)
C19	0.0619 (7)	0.0333 (5)	0.0409 (6)	−0.0112 (5)	0.0214 (5)	−0.0035 (4)
C20	0.0309 (4)	0.0253 (4)	0.0355 (4)	−0.0054 (3)	0.0123 (3)	−0.0084 (3)