686 944 while only 1616 of them are the neutron diffraction measurements (CSD
summary statistics—6 January 2014 [65]). It is worth mentioning that the total
number of crystal structures deposited in CSD at the end of 2014 reached 750 200.
In spite of the great disproportion between the number of neutron diffraction and
X-ray results one can see that the experimental results clearly show that there is the
electron charge density shift from H-atom to the bonded center, in the case considered here (Fig. 15.18) to the oxygen atom.
Fig. 15.18 Histograms of the O-H bond length for O–H groups connected with benzene ring
detected in crystal structures, neutron diffraction (down) and X-ray diffraction results (up) are
presented. The horizontal axes correspond to O–H bonds (length in Å), the vertical axes to number
of observations, based on the results from the Cambridge Structural Database [64]
15 What Can Be Learnt from a Location of Bond Paths …
421
summary statistics—6 January 2014 [65]). It is worth mentioning that the total
number of crystal structures deposited in CSD at the end of 2014 reached 750 200.
In spite of the great disproportion between the number of neutron diffraction and
X-ray results one can see that the experimental results clearly show that there is the
electron charge density shift from H-atom to the bonded center, in the case considered here (Fig. 15.18) to the oxygen atom.
Fig. 15.18 Histograms of the O-H bond length for O–H groups connected with benzene ring
detected in crystal structures, neutron diffraction (down) and X-ray diffraction results (up) are
presented. The horizontal axes correspond to O–H bonds (length in Å), the vertical axes to number
of observations, based on the results from the Cambridge Structural Database [64]
15 What Can Be Learnt from a Location of Bond Paths …
421