Chemistry Reference
In-Depth Information
Table 4.1
Torsion angles of caffeine moiety in complexes of caffeine and
catechins.
1:1 complex
of caffeine
and CA
1:1 complex
of caffeine
and EC
2:1 complex
of caffeine
and Cg
2:1:1 complex
of caffeine and
CA, EC
d
n
0
t
2
n
g
|
3
Torsion angle of
caffeine A
/N7-C5-C6-O13
1.3(11)u
1.3(15)u
11(5)u
2(3)u
/O13-C6-N1-C10
4.2(9)u
0.6(7)u
6(4)u
11(2)u
/O11-C2-N3-C12
4.9(9)u
2.3(12)u
3(4)u
4(2)u
/C14-N7-C8-N9
176.0(5)u
178.7(7)u
180(2)u
169(2)u
/C10-N1-C2-O11
3.8(9)u
1.8(12)u
1(3)u
4(2)u
/C12-N3-C4-N9
5.9(9)u
1.0(12)u
4(3)u
5(3)u
Torsion angle of
caffeine B
/N7-C5-C6-O13
-
-
3(3)u
1(2)u
/O13-C6-N1-C10
-
-
0.5(7)u
5(2)u
/O11-C2-N3-C12
-
-
2(3)u
2(3)u
/C14-N7-C8-N9
-
-
175.8(13)u
178(2)u
/C10-N1-C2-O11
-
-
1(3)u
4(2)u
/C12-N3-C4-N9
-
-
4(3)u
9(2)u
Numbers in parentheses indicate standard deviations.
Figure 4.4
Layer structures of 1 : 1 complex of caffeine and CA, and CA alone.
Crystal solvent and hydrogen atoms are omitted for clarity. Both black
arrows indicate the distances between planes. (a) 1 : 1 complex of caffeine
and CA (b) CA alone.
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