Bond Angle (˚)

C1-N1-C2

108.5 (3)

O1-C1-O2

123.8 (4)

O1-C1-N1

130.7 (4)

O2-C1-N1

105.4 (3)

C1-O2-N2

109.8 (3)

C2-N2-O2

103.8 (3)

N2-C2-N1

112.4 (3)

N2-C2-C3

124.2 (3)

N1-C2-C3

123.4 (3)

C16-N3-C22

105.5 (3)

C16-N3-C15

123.5 (3)

C22-N3-C15

131.1 (3)

C16-N4-C17

103.0 (3)

N3-C15-C12

114.0 (3)

C16-O5-C24

118.2 (3)

N4-C16-N3

115.9 (3)

N4-C16-O5

128.3 (3)

C18-C17-N4

128.1 (3)

O5-C16-N3

115.9 (3)

N3-C22-C21

134.0 (3)

N4-C17-C22

110.9 (3)

O3-C23-O4

122.7 (4)

N3-C22-C17

104.8 (3)

O4-C23-C21

114.3 (3)

O3-C23-C21

123.0 (3)

O5-C24-C25

106.9 (3)

Dihedral Angles (˚)

Crystal: Ring

I

II

III

IV

V

I O(2)N(2)C(2)N(1)C(1)

II N(3)C(16)N(4)C(17)C(22)

35.9 (2)

III C(3)C(4)C(5)C(6)C(7)C(8)

71.9 (2)

47.1 (2)

IV C(9)C(10)C(11)C(12)C(13)C(14)

76.7 (2)

68.2 (2)

60.04 (19)

V C(17)C(18)C(19)C(20)C(21)C(22)

38.05 (19)

2.33 (19)

46.78 (18)

65.93 (18)

VI N(3)C(16)N(4)C(17)C(18)C(19)C(20)C(21)C(22)

37.11 (17)

1.28 (17)

46.87 (16)

66.94 (16)

1.05 (15)