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Table 2 Descriptors for HBS types found in barbiturates: short HBS symbol [19] and number of o- and t-connections [N o, N t]

From: Specific energy contributions from competing hydrogen-bonded structures in six polymorphs of phenobarbital

Type

Short HBS symbol

[N o, N t]

[N o, N t]A [N o, N t]B …

Pbtl form(s)

C-1

C42[0]

[0, 2]

 

X

C-2

C42[0]

[0, 2]

 

I, II, III

C-3

C44[33.42.5]

[4, 0]

 

V

C-4

C43[42.6]

[2, 1]

  

C-5

C54.32[(53.62.7)(5)]

[2, 1]

[3, 1][1, 1]

VI

L-1

L43[63-hcb]

[2, 1]

  

L-2

L44[44.62-sql]

[4, 0]

  

L-3

L64.22[(64.8.10)(6)]

[2, 1]

[2, 2][2, 0]

I, II

L-4

L43[63-hcb]

[2, 1]

  

L-5

L43[63-hcb]

[2, 1]

  

L-6

L32.54.43[(10)(63.103)(63)]

[2, 1]

[1, 1][3, 1][2, 1]

 

F-1

F44[66-dia]

[4, 0]

  

F-2

F43[103-ths]

[2, 1]

  
  1. For graphical representations, see Fig. 2 and Ref. [23]