2010
DOI: 10.1039/b926745j
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The impact of accessible surface on hydrogen bond formation

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Cited by 11 publications
(15 citation statements)
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“…An acceptor or donor may be rendered incapable of hydrogen bonding if it is sterically hard to access (Wood & Galek, 2010). The steric accessibility of each atom was therefore measured by the proportion of its surface area that is exposed, PSAE.…”
Section: Steric Accessibilitymentioning
confidence: 99%
“…An acceptor or donor may be rendered incapable of hydrogen bonding if it is sterically hard to access (Wood & Galek, 2010). The steric accessibility of each atom was therefore measured by the proportion of its surface area that is exposed, PSAE.…”
Section: Steric Accessibilitymentioning
confidence: 99%
“…The synthon approach is qualitative in nature, takes into consideration only the complementarity of the functional groups and neglects other important factors, such as steric effects,13 which can prove vital for the effectiveness of a given interaction. The Cambridge Crystallographic Data Centre has developed a hydrogen bond propensity tool13b, 14 that can be applied to predict the possibility of new polymorphs or adducts based on the potential H bonds that might form. On providing information of molecular structure, the software searches the CSD for those molecules/salts/co‐crystals that have similar functional groups and quantifies the propensity of all the possible hydrogen bonds.…”
Section: Introductionmentioning
confidence: 99%
“…On providing information of molecular structure, the software searches the CSD for those molecules/salts/co‐crystals that have similar functional groups and quantifies the propensity of all the possible hydrogen bonds. It takes into consideration the chemical environment of the donor/acceptor groups as well as other important factors, such as competition15 (as a function of total counts of donor and acceptor atoms), aromaticity and steric crowding 13b…”
Section: Introductionmentioning
confidence: 99%
“…Indeed, most organic molecules can accept more hydrogen bonds than they can donate, so unsatisfied donors are unusual, while unsatisfied acceptors are common in organic crystal structures. 18 Statistical results in themselves cannot explain why molecules prefer to cocrystallise with partners that have similar dipole moments, fractional polarities and shapes to them. A definitive answer would require systematic structure analyses and is beyond the scope of the current work.…”
Section: Results and Their Interpretationmentioning
confidence: 97%