Here is the original article.
Distinction between the weak hydrogen bond and the van der Waals
interaction
Thomas Steiner*a and Gautam R. Desiraju*
Chem. Commun., 1998 891-892
On Thu, Feb 19, 2009 at 11:27 PM, Pius Padayatti <[log in to unmask]> wrote:
> Table 1 Numerical data for X–H···Y contacts with H···Y < 3.0 Å (2.7 Å for
> H···H contacts). Data for normalised H-atom positions
> Mean Mean Mean
> Contact type Number H···Y (Å) X···Y (Å) X–H···Y (°)
> C(sp3)–O–H···ONC 3330 1.974(6) 2.837(4) 154.0(4)
> CáC–H···ONC 44 2.36(4) 3.31(2) 152(2)
> CNCH2···ONC 124 2.67(1) 3.56(2) 143(1)
> CH2–CH3···ONC 767 2.761(6) 3.590(7) 137.1(7)
> CH2–CH3···H–C 3975 2.500(2) 3.246(4) 128.6(3)
>
> ref:Chem. Commun., 1998 891
>
> On Thu, Feb 19, 2009 at 7:48 PM, Jim Fairman <[log in to unmask]> wrote:
>> Fellow CCP4 Board Members,
>>
>> What is the general consensus of the structural biology community for a
>> range of distances that would be considered a Van der Waals
>> contact/interaction (eg: hydrogen bonds are usually considered to be 2.5-3.5
>> angstroms not including the hydrogen atoms)?
>>
>> Cheers, Jim
>>
>> --
>> Jim Fairman
>> Graduate Research Assistant
>> Department of Biochemistry, Cellular, and Molecular Biology (BCMB)
>> University of Tennessee -- Knoxville
>> 216-368-3337 [log in to unmask] [log in to unmask]
>>
>
>
>
> --
> Pius S Padayatti
> Scientist,
> Polgenix, Inc.
> 11000 Cedar Ave, Suite 260
> Cleveland, OH 44106
> Phone: 216-658-4528
> Fax: 216-658-4529
>
--
Pius S Padayatti
Scientist,
Polgenix, Inc.
11000 Cedar Ave, Suite 260
Cleveland, OH 44106
Phone: 216-658-4528
Fax: 216-658-4529
|