28
2 Biphenyl Moiety for a Solvent Responsive Aryl Gold(I) …
Table 2.1
Summary of the molar composition of 3
and solvent and Au··· Au and
π···π distances of single-crystal structures of 3/solvent
and 3/none
3/solvent
Solvents
Monomer
Intra-dimer
Inter-dimer
3:solvents a
(–)
Volume b,c
(%)
θ Bipheny
d
(°)
θ Isocyanide
d
(°)
Au···Au
distance e
(Å)
Au···Au
distance e
(Å)
π···π
distance e,f
(Å)
3/CHCl
3
1:1
18.6
57.22
13.49
3.191
(8.156)
–
3/Py
1:0.5
5.8
50.84
5.77
3.189
3.517
3.298
3/CH
2 Cl
2
1:1
15.0
52.72
7.55
3.206
3.566
3.309
3/CH
2 Br
2
1:1
15.8
51.64
7.27
3.216
3.527
3.312
3/DMA
1:0.5
12.7
52.55
4.41
3.212
3.527
3.347
3/AcH
1:0.5
12.6
51.96
5.08
3.212
3.516
3.352
3/CH
3 CN
1:1
12.7
55.93
4.73
3.221
3.498
3.381
3/DMF
1:0.5
4.9
51.93
4.93
3.194
3.485
3.284
3/SPO
1:1
2.7
51.78
9.28
3.193
3.426
3.248
3/racPO
1:0.25
3.1
53.21
4.38
3.218
3.504
3.322
3/acetone
1:0.25
9.5 (2.9%) c
52.20
21.62
3.134
3.493
3.414
3/none
1:0
0
51.57
6.87
3.185
3.527
3.305
a
Measured in molar ratio
b
Volume% occupied by included solvent molecules within the unit cell volume
c
Volume% of voids within the unit cell are listed in parentheses
d
Average dihedral angles found are listed
e
The average distances found are listed, and standard deviation is omitted
f
Distances for
π···π stacking interactions are measured between one phenyl plane and one of the carbon atoms in a phenyl ring
2 Biphenyl Moiety for a Solvent Responsive Aryl Gold(I) …
Table 2.1
Summary of the molar composition of 3
and solvent and Au··· Au and
π···π distances of single-crystal structures of 3/solvent
and 3/none
3/solvent
Solvents
Monomer
Intra-dimer
Inter-dimer
3:solvents a
(–)
Volume b,c
(%)
θ Bipheny
d
(°)
θ Isocyanide
d
(°)
Au···Au
distance e
(Å)
Au···Au
distance e
(Å)
π···π
distance e,f
(Å)
3/CHCl
3
1:1
18.6
57.22
13.49
3.191
(8.156)
–
3/Py
1:0.5
5.8
50.84
5.77
3.189
3.517
3.298
3/CH
2 Cl
2
1:1
15.0
52.72
7.55
3.206
3.566
3.309
3/CH
2 Br
2
1:1
15.8
51.64
7.27
3.216
3.527
3.312
3/DMA
1:0.5
12.7
52.55
4.41
3.212
3.527
3.347
3/AcH
1:0.5
12.6
51.96
5.08
3.212
3.516
3.352
3/CH
3 CN
1:1
12.7
55.93
4.73
3.221
3.498
3.381
3/DMF
1:0.5
4.9
51.93
4.93
3.194
3.485
3.284
3/SPO
1:1
2.7
51.78
9.28
3.193
3.426
3.248
3/racPO
1:0.25
3.1
53.21
4.38
3.218
3.504
3.322
3/acetone
1:0.25
9.5 (2.9%) c
52.20
21.62
3.134
3.493
3.414
3/none
1:0
0
51.57
6.87
3.185
3.527
3.305
a
Measured in molar ratio
b
Volume% occupied by included solvent molecules within the unit cell volume
c
Volume% of voids within the unit cell are listed in parentheses
d
Average dihedral angles found are listed
e
The average distances found are listed, and standard deviation is omitted
f
Distances for
π···π stacking interactions are measured between one phenyl plane and one of the carbon atoms in a phenyl ring