Table 3 Hydrogen bonds in [Ala]NO3 crystal.

From: Insensitive ionic bio-energetic materials derived from amino acids

D

H

A

d(D-H)/Å

d(H-A)/Å

d(D-A)/Å

<(DHA)/°

ρ BCP/e bohr−3

∇2 ρBCP/e bohr−5

E(2)/kJ mol−1

Strength

N8

H8C

O3

0.89

2.02

2.893(6)

167.7

0.0228

0.0857

34.67

Medium

O6

H6

O31

0.93

1.70

2.618(6)

167.0

0.0424

0.1323

87.70

Strong

N8

H8B

O52

0.89

1.96

2.831(6)

165.7

0.0257

0.0967

40.48

Medium

N8

H8A

O13

0.89

2.14

2.876(5)

138.9

0.0141

0.0792

9.07

Weak

  1. 11/2 − X, −1 − Y, 1/2 + Z; 2 −1 + X, + Y, + Z; 3 1/2 + X, −1/2 − Y, −1 − Z.
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