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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