This is a non-exhaustive list of some literature and web references that we find useful.


Regarding the significance of C---H...pi interactions.

Braga, D., Grepioni, F. & Tedesco, E. (1998). Organometallics, 17,

2669–2672.  X-H---p (X= O, N, C) Hydrogen Bonds in Organometallic



Takahashi, O., Kohno, Y., Iwasaki, S., Saito, K., Iwaoka, M., Tomoda,

S., Umezawa, Y., Tauboyama, S. & Nishio, M. (2001). Bull. Chem. Soc. Jpn, 74, 2421–2430.  Hydrogen-Bond-Like Nature of the CH/π Interaction as Evidenced by Crystallographic Database Analyses and Ab Initio Molecular Orbital Calculations.


Halogen atoms as hydrogen-bond acceptors.

Brammer, L., Bruton, E. A. & Sherwood, P. (2001). Cryst. Growth Des. 1, 277–290. Understanding the Behavior of Halogens as Hydrogen Bond Acceptors.


Thallapally, P. K. & Nangia, A. (2001). CrystEngComm, 27, 1–6. A Cambridge Structural Database analysis of the C–H...Cl interaction: C–H ...Cl- and C–H...Cl–M often behave as hydrogen bonds but C–H...Cl–C is generally a van der Waals interaction.


Very good compendium by Phil Jeffrey, of literature references on crystallographic practice and background theory, directed to macromolecular crystallographers but useful in any context.


Bragg film archive at the Royal Institution 


van der Waals radii


Ilia's fragment library and his related article: Guzei, Ilia A. (2014). J. Appl. Cryst. 47, 806-809.




Robert. H. Blessing, Acta Cryst. (1995). A51, 33-38. An Empirical Correction for Absorption Anisotropy.

Error model and outlier rejection:

Robert H. Blessing, J. Appl. Cryst. (1997). 30, 421-426. Outlier Treatment in Data Merging.