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Table 1 The crystal data, experimental conditions and structure refinement parameters for the compounds (I) and (II)

From: Synthesis and crystal structures of 5'-phenylspiro[indoline-3, 2'-pyrrolidin]-2-one derivatives

Parameters

Compound (I)

Compound (II)

Empirical formula

C23H19N3O3

C24H21N3O4

Formula weight

385.41

415.44

Wavelength

0.71073 Å

0.71073 Å

Crystal system, space group

Triclinic, P-1

Monoclinic, I 2/a

Unit cell dimensions

a = 7.681(4)Å; α = 64.68(3)°

a = 17.888(4)Å

 

b = 11.655(5)Å; β = 76.11(4)°

b = 11.260(3)Å; β = 108.65(4)°

 

c = 12.824(3)Å; γ = 71.43(3)°

c = 21.426(2)Å

Volume

976.5(7) Å3

4089.0(18) Å3

Z, Calculated density

2, 1.311 g/cm3

8, 1.350 g/cm3

Absorption coefficient

0.089 mm-1

0.094 mm-1

F(000)

404

1744

Crystal size

0.27 × 0.23 × 0.21 mm3

0.26 × 0.23 × 0.21 mm3

Theta range for data collection

2.10 to 19.98°

2.01 to 24.97°

Limiting indices

-1≤h≤7, -11≤k≤11, -12≤l≤12

-21≤h≤21, -12≤k≤1, -25≤l≤25

Reflections collected/unique

2367/1820 [R(int) = 0.0173]

9624/3499 [R(int) = 0.4799]

Completeness to theta

99.70%

97.50%

Absorption correction

Psi-scan

Psi-scan

Refinement method

Full-matrix least-squares on F2

Full-matrix least-squares on F2

Data/restraints/parameters

1820/0/271

3499/0/290

Goodness-of-fit on F2

1.265

1.157

Final R indices [I > 2σ(I)]

R1 = 0.1054,wR2 = 0.4769

R1 = 0.0768,wR2 = 0.1874

R indices (all data)

R1 = 0.1242,wR2 = 0.4954

R1 = 0.1941,wR2 = 0.2171

Extinction coefficient

0.004(8)

0.0011(6)

Largest diff. peak and hole

0.654 and -0.691 e.Å-3

0.642 and -0.228 e.Å-3