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Table 1 Selected bond lengths (Å) and angles (°) for CytNit and 5FcytNit

From: Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil

  CytNit   5FcytNit
  a = nil a = a a = nil
5-Nitrouracil    
O2a--C8a 1.217 (4) 1.211 (4) 1.221 (8)
O3a--C10a 1.235 (4) 1.225 (4) 1.201 (8)
O4a--N4a 1.211 (3) 1.218 (4) 1.208 (7)
O5a--N4a 1.241 (4) 1.220 (3) 1.219 (7)
N4a--C7a 1.418 (4) 1.437 (4) 1.430 (8)
C7a--C12a 1.371 (4) 1.361 (4) 1.371 (8)
C7a--C8a 1.452 (5) 1.462 (4) 1.448 (8)
C8a--N9a 1.390 (4) 1.387 (4) 1.369 (8)
N9a--C10a 1.364 (4) 1.362 (4) 1.371 (9)
C10a--N11a 1.373 (4) 1.383 (4) 1.382 (9)
N11a--C12a 1.324 (4) 1.324 (4) 1.314 (9)
C10a --N11a--C12a 118.7 (3) 121.7 (3) 123.1 (5)
Cytosine    
F1--C5    1.347 (7)
O1a--C2a 1.232 (4) 1.241 (4) 1.252 (8)
N2a--C4a 1.320 (4) 1.317 (4) 1.314 (9)
N1a--C6a 1.356 (4) 1.362 (4) 1.362 (8)
N1a--C2a 1.357 (4) 1.375 (4) 1.358 (8)
C2a--N3a 1.367 (4) 1.357 (4) 1.340 (9)
N3a--C4a 1.355 (4) 1.350 (4) 1.343 (8)
C4a--C5a 1.417 (4) 1.427 (5) 1.421 (9)
C5a--C6a 1.336 (5) 1.328 (5) 1.319 (9)
C2a --N3a--C4a 122.5 (3) 121.1 (3) 120.6 (5)