Table 4.
Proof of the bond length for the position of H at O1 [43].
| Bond Lengths in Crystalline Organic Compounds | Compound 1 | ||||||
|---|---|---|---|---|---|---|---|
| d | m | σ | ql | qu | |||
| in pyrazole: (N1–N2) | 1.366 | 1.366 | 0.019 | 1.350 | 1.375 | N1 N2 single bond | 1.376 |
| in pyrazole: (N2=C3) | 1.329 | 1.331 | 0.014 | 1.315 | 1.339 | N1 C7 double bond | 1.329 |
| in pyrazole: (N1–C5) | 1.357 | 1.359 | 0.012 | 1.347 | 1.365 | N1 C9 single bond | 1.354 |
| in enols: C=C–OH | 1.333 | 1.331 | 0.017 | 1.324 | 1.342 | C7 O1 single bond | 1.339 |
| in phenols: Caromatic-OH | 1.362 | 1.364 | 0.015 | 1.353 | 1.373 | ||
| in lactams: (C=O) | 1.240 | 1.241 | 0.003 | 1.237 | 1.243 | ||
| in benzoquinones: (C=O) | 1.222 | 1.220 | 0.013 | 1.211 | 1.231 | ||
d is the unweighted mean in Å of all the values for that bond length found in the sample; m is the median in Å of all values; σ is the standard deviation in the sample; ql is the lower quartile for the sample; qu is the upper quartile for the sample.