Solvent

Distance (Å)

Angle

Intermolecular H-bond O21H20N6

O21-H20

N6-H20

O21-N6

O21H20N6

Gas

1.555

1.069

2.624

163.728

Chloroform

1.671

1.046

2.717

165.256

Methanol

1.713

1.042

2.755

164.499

Solvent

Distance (Å)

Angle

Intramolecular H-bond O28H29O31

O28-H29

O31-H29

O28O31

O28H29O31

Gas

0.996

1.804

2.802

125.111

Chloroform

0.998

1.820

2.817

124.474

Methanol

0.997

1.828

2.824

124.113