Table 2. Hydrogen bonds and short intermolecular contacts (Å, °) for compounds (I)–(V).
Cg1 and Cg2 represent the centroids of the C5A/C6–C9/C9A and C1–C6 rings, respectively.
Compound | D—H⋯A | D—H | H⋯A | D⋯A | D—H⋯A |
---|---|---|---|---|---|
(I) | C8—H8⋯N3i | 0.95 | 2.52 | 3.4641 (16) | 173 |
C12—H12⋯O5ii | 0.95 | 2.50 | 3.4136 (16) | 161 | |
(II) | C7—H7⋯N3iii | 0.95 | 2.55 | 3.2770 (15) | 133 |
C13—H13⋯O5iv | 0.95 | 2.54 | 3.4083 (16) | 151 | |
C15—H15⋯O5v | 0.95 | 2.48 | 3.2482 (16) | 138 | |
(III) | C8—H8⋯N3vi | 0.95 | 2.58 | 3.2465 (19) | 127 |
C16—H16⋯N2vii | 0.95 | 2.56 | 3.500 (2) | 169 | |
(IV) | C6—H6⋯O5viii | 0.95 | 2.53 | 3.287 (3) | 137 |
C8—H8⋯O5ix | 0.95 | 2.57 | 3.578 (2) | 161 | |
C15—H15⋯N3x | 0.95 | 2.52 | 3.271 (2) | 136 | |
C7—H7⋯Cg1xi | 0.95 | 2.69 | 3.517 (2) | 146 | |
(V) | O24—H24⋯N23xii | 0.90 (2) | 1.77 (2) | 2.6721 (15) | 177.5 (19) |
C8—H8A⋯Cg2xiii | 0.98 | 2.90 | 3.6605 (16) | 135 | |
C8—H8B⋯Cg2viii | 0.98 | 2.90 | 3.5007 (16) | 120 | |
C8—H8C⋯O24viii | 0.98 | 2.59 | 3.4004 (19) | 140 | |
C215—H215⋯O24xiv | 0.95 | 2.57 | 3.2972 (19) | 134 |
Symmetry codes: (i) x + , −y +
, z +
; (ii) −x +
, y +
, −z +
; (iii) x − 1, y, z − 1; (iv) −x +
, y −
, −z +
; (v) −x +
, y −
, −z +
; (vi) x, y, z + 1; (vii) x, −y +
, z +
; (viii) −x, −y + 1, −z + 1; (ix) x, −y +
, z −
; (x) x, −y +
, z −
; (xi) −x, y −
, −z +
; (xii) −x + 1, −y + 1, −z + 1; (xiii) −x, y −
, −z +
; (xiv) x, −y +
, z +
.