Table 2. Hydrogen bonds and related short intramolecular contacts (Å, °) for compounds (Ic)–(If), (IIa), (IIe) and (IIg).
Cg1, Cg2 and Cg3 represent the centroids of the C3A/C4–C7/C7A, C11–C16 and C13A/C14–C17/C17A rings, respectively.
D—H⋯A | D—H | H⋯A | D⋯A | D—H⋯A | ||
---|---|---|---|---|---|---|
(Ic) | O3—H3⋯O2i | 0.86 (2) | 2.10 (2) | 2.9487 (15) | 171.1 (18) | |
C6—H6⋯O324ii | 0.95 | 2.41 | 3.297 (2) | 155 | ||
C31—H31B⋯O2i | 0.99 | 2.48 | 3.312 (2) | 141 | ||
C4—H4⋯Cg2iii | 0.95 | 2.93 | 3.6101 (18) | 130 | ||
C14—H14⋯Cg1iv | 0.95 | 2.82 | 3.709 (2) | 156 | ||
(Id) | O3—H3⋯O2v | 0.868 (18) | 1.918 (18) | 2.7630 (12) | 164.2 (18) | |
C7—H7⋯O32vi | 0.95 | 2.44 | 3.3343 (16) | 157 | ||
C1—H1B⋯Cg1vi | 0.99 | 2.96 | 3.8375 (14) | 149 | ||
(Ie) | O3—H3⋯N321vii | 0.897 (17) | 1.897 (17) | 2.7915 (14) | 174.9 (15) | |
C4—H4⋯O3v | 0.95 | 2.46 | 3.3842 (14) | 164 | ||
C7—H7⋯O32viii | 0.95 | 2.51 | 3.3719 (14) | 150 | ||
C325—H325⋯O2ix | 0.95 | 2.32 | 3.2578 (15) | 171 | ||
C322—H322⋯Cg1ii | 0.95 | 2.68 | 3.5294 (14) | 149 | ||
(If) | O13—H13⋯O22 | 0.874 (17) | 1.912 (17) | 2.7794 (12) | 171.1 (17) | |
O23—H23⋯O12 | 0.874 (17) | 1.912 (17) | 2.7794 (12) | 171.1 (17) | ||
C131–H13A⋯O22vi | 0.99 | 2.35 | 3.3075 (16) | 161 | ||
C147—H147⋯O141x | 0.95 | 2.56 | 3.4776 (18) | 163 | ||
C231—H23A⋯O12v | 0.99 | 2.37 | 3.3107 (15) | 159 | ||
C242—H24A⋯O23ii | 0.99 | 2.53 | 3.4889 (19) | 163 | ||
C142—H14A⋯Cg3ii | 0.99 | 2.53 | 3.3289 (15) | 137 | ||
(IIa) | C15—H15⋯O32xi | 0.95 | 2.49 | 3.278 (3) | 141 | |
(IIe) | C14—H14⋯O2xii | 0.95 | 2.32 | 3.234 (3) | 161 | |
C16—H16⋯O2xiii | 0.95 | 2.45 | 3.230 (2) | 140 | ||
C326—H326⋯O2xiv | 0.95 | 2.58 | 3.494 (2) | 162 | ||
C6—H6⋯Cg2xiii | 0.95 | 2.64 | 3.566 (2) | 165 | ||
(IIg) | C5—H5⋯O2xv | 0.95 | 2.59 | 3.5058 (19) | 161 | |
C323—H323⋯Cg2xvi | 0.95 | 2.93 | 3.744 (3) | 145 |
Symmetry codes: (i) −x + , −y +
, −z + 1; (ii) x, y − 1, z; (iii) x, −y + 1, z +
; (iv) −x +
, −y +
, −z + 1; (v) −x + 1, −y + 1, −z + 1; (vi) −x, −y + 1, −z + 2; (vii) x, y + 1, z; (viii) −x + 1, −y + 1, −z; (ix) −x, −y + 1, −z + 1; (x) −x, −y, −z + 1; (xi) −x + 1, y −
, −z +
; (xii) x +
, −y +
, z −
; (xiii) x −
, −y +
, z −
; (xiv) x +
, −y +
, z +
; (xv) x −
, y, −z +
; (xvi) −x + 1, y +
, −z +
.