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. 2013 Mar 13;14(2):558–568. doi: 10.1208/s12249-013-9940-6

Table II.

Hydrogen Bond Geometries in Crystal Structures of Form I and II

Interactions H···A/ Å D···A/ Å ∠D–H···A/º Symmetry code
Form I
O(1)─H(1)···O(8) 2.14 2.862 146 −1 + x,y,z
O(2)─H(2A)···O(6) 2.00 2.816 170 1−x,−1/2 + y,−z
O(4)─H(4)···O(3) 2.18 2.615 113 Intramolecular
O(4)─H(4)···O(10) 2.32 3.093 158 x,−1/2 + y,−z
O(5)─H(5A)···O(11) 1.99 2.808 172 1−x,1/2 + y,1−z
C(2)─H(2)···O(10) 2.31 2.739 106 Intramolecular
C(3)─H(3)···O(8) 2.53 3.093 116 Intramolecular
C(5)─H(5)···O(10) 2.49 3.441 163 1 + x,y,z
C(14)─H(14B)···O(9) 2.44 2.882 107 Intramolecular
C(16)─H(16B)···O(4) 2.55 3.161 122 Intramolecular
C(16)─H(16C)···O(3) 2.51 3.082 119 Intramolecular
C(17)─H(17C)···O(1) 2.56 2.918 102 Intramolecular
C(19)─H(19A)···O(6) 2.45 3.312 149 Intramolecular
C(26)─H(26)···O(5) 2.52 3.266 137 1−x,1/2 + y,1−z
C(29)─H(29)···O(3) 2.56 3.198 126 x,1/2 + y,−z
Form II
O(1)─H(1)···O(8) 2.15 2.892 150 x,−1 + y,z
O(2)─H(2)···O(11) 1.83 2.627 165
O(4)─H(4)···O(3) 2.07 2.571 119 Intramolecular
O(5)─H(5)···O(2) 1.98 2.800 173 x,y,1 + z
C(2)─H(2A)···O(10) 2.24 2.694 107 Intramolecular
C(3)─H(3)···O(8) 2.50 3.076 117 Intramolecular
C(5)─H(5A)···O(10) 2.43 3.368 160 x,1 + y,z
C(14)─H(14A)···O(9) 2.54 2.945 105 Intramolecular
C(17)─H(17A)···O(3) 2.58 3.196 122 Intramolecular
C(17)─H(17C)···O(4) 2.56 3.135 119 Intramolecular
C(19)─H(19B)···O(6) 2.43 3.287 148 Intramolecular
C(31)─H(31C)···O(3) 2.58 3.454 151 x,1 + y,z