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Table 2 Hydrogen bonding connectivity in triamterene

From: Using crystallography, topology and graph set analysis for the description of the hydrogen bond network of triamterene: a rational approach to solid form selection

No.

Type

Residue

Donor–H…A

[ARU]a

D–H

H…A

D…A

D–H…A

1

 

1

N2A—H2A…N3B

[1655.02]

0.887 (15)

2.167 (15)

3.0430 (17)

169.4 (16)

2

 

2

N2B—H2B…N3A

[1555.01]

0.920 (16)

2.161 (15)

3.0682 (17)

168.6 (15)

3

 

1

N2A—H3A…N1B

[1555.02]

0.922 (15)

2.141 (15)

3.0582 (16)

173.1 (14)

4

 

2

N2B—H3B…N1A

[1455.01]

0.911 (15)

2.138 (15)

3.0436 (16)

172.7 (14)

5

 

1

N4A—H4A…N8A

[1455.01]

0.92 (2)

2.43 (2)

3.1159 (17)

131.3 (15)

6

 

2

N4B—H4B…N8B

[1455.02]

0.90 (2)

2.46 (2)

3.1130 (17)

130.4 (14)

7

INTRA

1

N4A—H5A…N5A

[–]

0.921 (18)

2.399 (15)

2.7668 (16)

103.7 (11)

8

 

1

N4A—H5A…N7A

[1455.01]

0.921 (18)

2.597 (16)

3.1791 (18)

121.7 (12)

9

INTRA

2

N4B—H5B…N5B

[–]

0.916 (18)

2.412 (15)

2.7762 (17)

103.7 (11)

10

 

1

N7A—H6A…N2B

[2767.02]

0.909 (18)

2.338 (17)

3.0426 (17)

134.3 (14)

11

 

2

N7B—H6B…N2A

[2776.01]

0.889 (18)

2.323 (18)

3.0323 (17)

136.7 (14)

12

 

1

N7A—H7A…N8A

[2867.01]

0.905 (16)

2.146 (16)

3.0473 (17)

173.5 (15)

13

 

2

N7B—H7B…N8B

[2776.02]

0.913 (16)

2.125 (16)

3.0288 (17)

170.1 (15)

14

INTRA

2

C6PB–H6PB…N7B

[–]

0.973 (15)

2.544 (15)

2.9913 (19)

108.0 (11)

15

INTRA

1

C6PA–H6PA…N7A

[–]

0.973 (15)

2.597 (16)

3.0149 (19)

106.1 (11)

  1. aTranslation of ARU-code to CIF and equivalent position code: [1655.] = [1_655] = 1 + x, y, z, [2776.] = [2_776] = 2 − x, 2 − y, 1 − z, [1455.] = [1_455] = − 1 + x, y, z, [2767.] = [2_767] = 2 − x, 1 − y, 2 − z, [2867.] = [2_867] = 3 − x, 1 − y, 2 − z
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