4.3 Single Crystal XRD Analyses of 1ch and 1ac
111
Fig. 4.9 Crystal structures of 1ch and 1ac. a Dimer of M 1 and P 2 , b columnar structure, and
c packing structure of 1ch with no inversion center. d Dimer of M 3 and M 4 , e tetramer with
inversion center, and f packing structure of 1ac
Table 4.2 Summary of X-ray crystallographic data of 1ch and 1ac
Compound
1ch by pricking
1ch by crystal
contact
1ac by pricking
CCDC number
1537799
1537800
1537801
Empirical formula
C 19 H 14 AuN
C 19 H 14 AuN
C 19 H 14 AuN
Formula weight
453.29
453.29
453.29
Crystal system
Orthorhombic
Orthorhombic
Triclinic
Crystal size/mm
0.339 × 0.092 ×
0.042
0.227 × 0.030 ×
0.021
0.214 × 0.151 ×
0.115
a (Å)
6.0647(3)
6.0437(6)
9.9203(7)
b (Å)
20.1459(9)
20.048(2)
13.1108(7)
c (Å)
25.5946(12)
25.411(2)
13.2410(11)
α (°)
90
90
105.287(3)
β (°)
90
90
98.379(2)
γ (°)
90
90
110.223(4)
V (Å 3 )
3127.1(2)
3078.9(5)
1504.50(19)
Space group
P2 1 2 1 2 1 (#19)
P2 1 2 1 2 1 (#19)
P-1 (#2)
Z value
8
8
4
D calc (g cm) −3
1.925
1.956
2.001
Temperature (K)
123
123
123
(continued)