description |
Value |
Reference |
Comment |
Atom number |
rCC |
1.514 |
1987Kuchitsu(II/15) |
|
1 |
2 |
| |
rCO |
1.410 |
1987Kuchitsu(II/15) |
|
2 |
6 |
| |
rCH |
1.140 |
1987Kuchitsu(II/15) |
|
1 |
4 |
| |
rOH |
0.980 |
1987Kuchitsu(II/15) |
non H bonded H |
6 |
8 |
| |
aCCC |
112.0 |
1987Kuchitsu(II/15) |
|
2 |
1 |
3 |
|
aCCO |
108.0 |
1987Kuchitsu(II/15) |
to O with H that hydrogen bonds to other O |
1 |
3 |
7 |
|
aCCO |
112.0 |
1987Kuchitsu(II/15) |
to O receiving the H bond |
1 |
2 |
6 |
|
aHOC |
109.0 |
1987Kuchitsu(II/15) |
O has H that hydrogen bonds |
3 |
7 |
9 |
|
aHOC |
97.0 |
1987Kuchitsu(II/15) |
|
2 |
6 |
8 |
|
aHCC |
109.0 |
1987Kuchitsu(II/15) |
|
1 |
2 |
10 |
|
dOCCC |
68.0 |
1987Kuchitsu(II/15) |
O has H that hydrogen bonds |
2 |
1 |
3 |
7 |
dOCCC |
61.0 |
1987Kuchitsu(II/15) |
O that receives hydrogen bond |
3 |
1 |
2 |
6 |
dCCOH |
46.0 |
1987Kuchitsu(II/15) |
O with hydrogen bonding H |
1 |
3 |
7 |
9 |
dCCOH |
180.0 |
1987Kuchitsu(II/15) |
O w/o hydrogen bonding H |
1 |
2 |
6 |
8 |