Crystal structure of di-bromido-bis-(1,3-dibenzyl-1,3-diazinan-2-one-?O)cobalt(II).

ABSTRACT: The unit cell of the title complex, [CoBr2(C18H20N2O)2], contains 1.5 formula units per asymmetric unit with one mol-ecule sitting on a general site and a second one halved by a crystallographic twofold rotation axis passing through the Co(II) cation. Both Co(II) atoms are coordinated in a distorted tetra-hedral manner by two Br(-) ligands and two O atoms of the pyrimidinone (OPyr) groups. The Br-Co-Br coordination angles are similar [115.46?(4) and 115.20?(5)°], while the O-Co-O angles differ slightly more [102.26?(18) and 98.1?(2)°]. Similarly, the Co-Br bond lengths are almost identical [2.3721?(9), 2.3757?(10) and 2.3809?(10)?Å], with a larger difference between the Co-O bond lengths [1.929?(4), 1.926?(4) and 1.955?(4)?Å]. The three independent OPyr groups present envelope conformations, with three C and two N atoms lying in well defined planes with maximum deviations from the least-squares planes of 0.047, 0.031 and 0.036?Å, and the external-most C atoms protruding by 0.654?(6), 0.643?(7) and 0.656?(6)?Å out of the planes. The dihedral angles between the planar fractions of the OPyr planes are 50.5?(1)° for the nonsymmetric mol-ecule and 49.7?(1)° for the symmetric one. Non-covalent inter-actions are of the C-H?Br type and they are weak, hardly shorter than van der Waals radii, with an H?Br distance range of 3.00-3.04?Å. The inter-molecular inter-actions define chains parallel to [101].

SUBMITTER: Rais E 

PROVIDER: S-EPMC4555415 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature