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. 2021 Jul 24;77(Pt 4):632–637. doi: 10.1107/S2052520621006399

Table 2. Short intermolecular Br⋯Br distances (Å) and angles (°) in 123TBB, 124TBB and 135TBB at 270, 200 and 100 K.

  270 K 200 K 100 K
123TBB      
Br11⋯Br12i 3.6440 (10) 3.6175 (8) 3.5850 (6)
C11—Br11⋯Br12i 162.75 (19) 162.83 (17) 163.37 (15)
Br11⋯Br12i—C12i 135.03 (16) 135.19 (14) 135.10 (12)
       
124TBB      
Br11⋯Br34ii 3.687 (4) 3.651 (3) 3.606 (3)
C11—Br11⋯Br34ii 99.2 (7) 99.4 (6) 99.7 (5)
Br11⋯Br34ii—C34ii 171.2 (7) 172.6 (6) 172.2 (6)
Br14⋯Br21iii 3.751 (4) 3.722 (3) 3.676 (3)
C14—Br14⋯Br21iii 86.3 (6) 86.2 (6) 86.0 (6)
Br14⋯Br21iii—C21iii 161.4 (7) 162.0 (6) 162.1 (6)
Br14⋯Br31 3.698 (4) 3.672 (3) 3.640 (3)
C14—Br14⋯Br31 165.7 (8) 165.2 (7) 165.4 (6)
Br14⋯Br31—C31 105.6 (7) 105.0 (6) 105.5 (6)
Br21⋯Br24iv 3.630 (4) 3.606 (3) 3.565 (3)
C21—Br21⋯Br24iv 102.7 (6) 102.3 (6) 103.3 (5)
Br21⋯Br24iv—C24iv 174.2 (7) 174.9 (6) 175.9 (6)
       
135TBB      
Br13⋯Br13v 3.7411 (13) 3.7094 (9) 3.6724 (8)
C13—Br13⋯Br13v 151.9 (2) 152.15 (16) 152.14 (15)
Br13⋯Br13v—C13v 112.4 (2) 112.16 (15) 112.30 (14)
Br13⋯Br15vi 3.7458 (11) 3.7252 (8) 3.6994 (7)
C13—Br13⋯Br15vi 118.4 (2) 117.95 (15) 117.93 (15)
Br13⋯Br15vi—C15vi 156.1 (2) 155.94 (17) 156.24 (16)

Symmetry codes: (i) −x + 1, y + 1 \over 2, −z + 1 \over 2; (ii) x − 1 \over 2, y, z + 3 \over 2; (iii) x, y, z + 1; (iv) x + 1 \over 4, −y + 1 \over 4, z − 3 \over 4; (v) x − 1 \over 2, −y + 1 \over 2, −z; (vi) −x + 1 \over 2, −y + 1, z − 1 \over 2.