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Table 1 Crystallographic data for 4-substituted methylidene oxindoles

From: Synthesis and solid-state characterisation of 4-substituted methylidene oxindoles

  3a 3b 3c 3d 3e
Empirical Formula C15H12BrNO2 C15H12ClNO2 C16H13NO2 C16H13NO C15H10N2O3
Formula Weight 318.17 273.71 251.27 235.27 266.25
T/K 120(2) 120(2) 120(2) 120(2) 120(2)
Crystal System Monoclinic Monoclinic Triclinic Triclinic Monoclinic
Space Group C2/c C2/c P−1 P−1 P21/c
a 19.623(3) 19.6553(12) 4.1302(2) 8.1168(4) 9.9484(11)
b 4.0710(5) 4.0406(2) 12.9513(9) 9.2556(4) 7.9134(10)
c 32.979(4) 32.653(2) 13.0829(9) 9.3927(3) 16.013(2)
α/° 90 90 62.708(3) 62.290(2) 90
β/° 101.698(3) 101. 378(2) 86.495(4) 80.933(3) 104.340(8)
γ/° 90 90 86.546(4) 72.180(2) 90
V/Å3 2579.8(6) 2542.3(3) 620.35(7) 594.64(4) 1221.4(3)
Dcalcd/g cm-3 1.638 1.430 1.345 1.314 1.448
Independent reflections 2888 2890 2830 2701 2062
R int 0.0715 0.0578 0.0592 0.0506 0.0526
Data/restraints/parameters 2888/7/181 2890/7/181 2830/0/173 2701/0/165 2062/0/181
Absorption coefficient/mm-1 3.183 0.297 0.089 0.082 0.103
R1/wR2 (observed data: F2 > 2σ(F2)) 0.0785/0.1445 0.0470/0.1209 0.0877/0.1398 0.0647/0.1240 0.0623/0.1246
R1/wR2 (all data) 0.1198/0.1671 0.0657/0.1320 0.1415/0.1633 0.0924/0.1419 0.1026/0.1497