Core dictionary (coreCIF) version 2.3.1

Category GEOM_HBOND

Name:
'_geom_hbond_[]'

Definition:

   Data items in the GEOM_HBOND category record details about
   hydrogen bonds as calculated from the ATOM,
   CELL and SYMMETRY data.
Example:

Example 1 - based on C~14~H~13~ClN~2~O.H~2~O, reported by Palmer, Puddle & Lisgarten [Acta Cryst. (1993), C49, 1777-1779]. 
 
    loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag

    N6   HN6  OW   0.888(8)  1.921(12)  2.801(8)  169.6(8)  yes
    OW   HO2  O7   0.917(6)  1.923(12)  2.793(8)  153.5(8)  yes
    OW   HO1  N10  0.894(8)  1.886(11)  2.842(8)  179.7(9)  yes


Type: null

Category: category_overview








































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