𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Analysis of CO…HO interactions in organic crystal structures

✍ Scribed by Slawomir Janusz Grabowski

Publisher
Elsevier Science
Year
1998
Tongue
French
Weight
401 KB
Volume
54
Category
Article
ISSN
0040-4020

No coin nor oath required. For personal study only.

✦ Synopsis

An analysis is given of C=O..H-O interactions in neutron diffraction organic crystal structures taken from Cambridge Structural Database. The dependence of the H..O intermolecular distance on the C=O bond length supports the concept of the valence sum rule. It was found that the Lewis-base strengths of C=O groups are close to the Lewis-acid strengths of O-H bonds within such systems.

📜 SIMILAR VOLUMES

On the electrostatic directionality of N
On the electrostatic directionality of NH…OC hydrogen bonding
✍ J.B.O. Mitchell; S.L. Price 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 470 KB

The accessible minima in the electrostatic interaction energy of 29 bimolecular complexes containing N-H...O=C hydrogen bonds have been calculated, using ab initio distributed multipoles. The hydrogen bond geometries corresponding to these minima show the same statistical trends as found in crystal

Reliability of assigning OH ⋯ O hydroge
Reliability of assigning OH ⋯ O hydrogen bonds to short intermolecular O ⋯ O separations in cyclodextrin and oligosaccharide crystal structures
✍ Thomas Steiner; Wolfram Saenger 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 800 KB

The statistical relation between intermolecular 0 . . . 0 separations and the occurrence of hydrogen bonding is described for six high-resolution neutron crystal structures of vclomalto-oligosaccharide (cyclodextrin) complexes. All 0 \* \* -0 contacts shorter than 3.0 A are actually associated with