Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name |
---|---|
C4H4N2O2 | Uracil |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCN | 1.371 | 1967Ste:1102 | 6 | 7 | |||
rCN | 1.376 | 1967Ste:1102 | 3 | 7 | |||
rCN | 1.371 | 1967Ste:1102 | 1 | 3 | |||
rCC | 1.430 | 1967Ste:1102 | 1 | 2 | |||
rCC | 1.340 | 1967Ste:1102 | 1 | 4 | |||
rCN | 1.358 | 1967Ste:1102 | 4 | 6 | |||
rCO | 1.215 | 1967Ste:1102 | 1 | 5 | |||
rCO | 1.245 | 1967Ste:1102 | 1 | 5 | |||
rCH | 0.931 | 1967Ste:1102 | 2 | 9 | |||
rNH | 0.836 | 1967Ste:1102 | 6 | 12 | |||
rCH | 0.957 | 1967Ste:1102 | 4 | 11 | |||
rNH | 0.877 | 1967Ste:1102 | 3 | 10 | |||
aNCN | 114.0 | 1967Ste:1102 | 3 | 7 | 6 | ||
aCNC | 126.7 | 1967Ste:1102 | 1 | 3 | 7 | ||
aCCN | 115.5 | 1967Ste:1102 | 2 | 1 | 3 | ||
aCCC | 118.9 | 1967Ste:1102 | 1 | 2 | 4 |
squib | reference |
---|---|
1967Ste:1102 | RF Stewart "REDETERMINATION OF CRYSTAL STRUCTURE OF URACIL" Acta Cryst. 23, 1102, 1967 |