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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)