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Table 2 Selected bond lengths (Å) and bond angles (°) for isomer 1B

From: A comparative study of the metal binding behavior of alanine based bis-thiourea isomers

Bond

Length (Å)

Bond

Angles (°)

S(1)–C(4)

1.672(2)

C(4)–N(1)–C(3)

123.7(2)

O(1)–C(1)

1.212(3)

C(5)–N(2)–C(4)

126.52(18)

O(2)–C(1)

1.313(3)

O(1)–C(1)–O(2)

122.1(2)

O(3)–C(5)

1.214(3)

O(1)–C(1)–C(2)

124.6(2)

N(1)–C(4)

1.316(3)

O(2)–C(1)–C(2)

113.26(19)

N(1)–C(3)

1.464(3)

C(1)–C(2)–C(3)

112.6(2)

N(2)–C(5)

1.377(3)

N(1)–C(3)–C(2)

111.31(19)

N(2)–C(4)

1.399(2)

N(1)–C(4)–N(2)

116.77(18)

C(1)–C(2)

1.494(4)

N(1)–C(4)–S(1)

122.86(16)

C(2)–C(3)

1.514(3)

N(2)–C(4)–S(1)

120.35(16)

C(5)–C(6)

1.500(3)

O(3)–C(5)–N(2)

122.32(18)

C(6)–C(7)

1.371(3)

O(3)–C(5)–C(6)

120.38(19)

C(6)–C(8)

1.377(3)

N(2)–C(5)–C(6)

117.30(19)

C(7)–C(8)#1

1.382(3)

C(7)–C(6)–C(8)

118.52(19)

C(8)–C(7)#1

1.382(3)

C(7)–C(6)–C(5)

124.88(18)

  

C(8)–C(6)–C(5)

116.59(19)

  1. Symmetry transformations used to generate equivalent atoms: #1 −x,−y,−z