Hydrogen-bond coordination in organic crystal structures: statistics, predictions and applications
2014 ◽
Vol 70
(1)
◽
pp. 91-105
◽
Keyword(s):
Statistical models to predict the number of hydrogen bonds that might be formed by any donor or acceptor atom in a crystal structure have been derived using organic structures in the Cambridge Structural Database. This hydrogen-bond coordination behaviour has been uniquely defined for more than 70 unique atom types, and has led to the development of a methodology to construct hypothetical hydrogen-bond arrangements. Comparing the constructed hydrogen-bond arrangements with known crystal structures shows promise in the assessment of structural stability, and some initial examples of industrially relevant polymorphs, co-crystals and hydrates are described.
2009 ◽
Vol 65
(1)
◽
pp. 68-85
◽
2012 ◽
Vol 69
(1)
◽
pp. 93-100
◽
2005 ◽
Vol 38
(4)
◽
pp. 694-696
◽
Keyword(s):
2002 ◽
Vol 58
(3)
◽
pp. 380-388
◽
2006 ◽
Vol 62
(4)
◽
pp. 567-579
◽
2012 ◽
Vol 68
(4)
◽
pp. o164-o169
◽
2016 ◽
Vol 72
(4)
◽
pp. 530-541
◽