Unknown

Dataset Information

0

Crystal structure and Hirshfeld surface analysis of aqua-bis-(nicotinamide-?N1)bis-(2,4,6-tri-methyl-benzoato-?O)zinc.

ABSTRACT: The asymmetric unit of the title complex, [Zn(C10H11O2)2(C6H6N2O)2(H2O)], contains one half of the complex mol-ecule, and the ZnII cation and the water O atom lie on a twofold rotation axis. The ZnII cation is coordinated by two carboxyl-ate O atoms of the two symmetry-related 2,4,6-tri-methyl-benzoate (TMB) anions and by the water O atom at distances of 2.0311?(16) and 2.076?(2)?Å to form a slightly distorted trigonal-planar arrangement, while the distorted trigonal-bipyramidal coordination sphere is completed by the two pyridine N atoms of the two symmetry-related monodentate nicotinamide (NA) ligands at distances of 2.2066?(19)?Å in the axial positions. In the crystal, mol-ecules are linked via inter-molecular N-H?O and O-H?O hydrogen bonds with R22(12), R33(10) and R33(16) ring motifs, forming a double-column structure running along the c-axis direction. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H?H (58.4%), H?C/C?H (20.3%) and H?O/O?H (18.3%) inter-actions.

SUBMITTER: Hokelek T 

PROVIDER: S-EPMC5588578 | biostudies-literature | 2017 Sep

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

Crystal structure and Hirshfeld surface analysis of aqua-bis-(nicotinamide-κ<i>N</i><sup>1</sup>)bis-(2,4,6-tri-methyl-benzoato-κ<i>O</i>)zinc.

Hökelek Tuncer T   Aşkın Gülçin Şefiye GŞ   Özkaya Safiye S   Necefoğlu Hacali H  

Acta crystallographica. Section E, Crystallographic communications 20170821 Pt 9

The asymmetric unit of the title complex, [Zn(C<sub>10</sub>H<sub>11</sub>O<sub>2</sub>)<sub>2</sub>(C<sub>6</sub>H<sub>6</sub>N<sub>2</sub>O)<sub>2</sub>(H<sub>2</sub>O)], contains one half of the complex mol-ecule, and the Zn<sup>II</sup> cation and the water O atom lie on a twofold rotation axis. The Zn<sup>II</sup> cation is coordinated by two carboxyl-ate O atoms of the two symmetry-related 2,4,6-tri-methyl-benzoate (TMB) anions and by the water O atom at distances of 2.0311 (16) and 2.076   ...[more]

Similar Datasets

Unknown Crystal structure and Hirshfeld surface analysis of aqua-bis-(nicotinamide-κN1)bis-(2,4,6-tri-methyl-benzoato-κ2O,O')cadmium(II).
| S-EPMC5956347 | biostudies-literature
Unknown Crystal structure and Hirshfeld surface analysis of di-aqua-bis-(N,N-di-ethyl-nicotinamide-κN1)bis-(2,4,6-tri-methyl-benzoato-κO)manganese(II).
| S-EPMC5946959 | biostudies-literature
Unknown Crystal structure of di-aqua-bis-(N,N-di-ethyl-nicotinamide-κN (1))bis-(2,4,6-tri-methyl-benzoato-κO (1))cobalt(II).
| S-EPMC4910347 | biostudies-literature
Unknown Crystal structure and Hirshfeld surface analysis of di-aqua-bis-(isonicotinamide-κ<i>N</i>)bis-(2,4,6-tri-methyl-benzoato-κ<i>O</i><sup>1</sup>)nickel(II) dihydrate.
| S-EPMC5598856 | biostudies-literature
Unknown Bis(?-4-methyl-benzoato-?O:O')bis-[aqua-(4-methyl-benzoato-?O,O')zinc(II)]-bis-(?-4-methyl-benzoato-?O:O')bis-[(4-methyl-benzoato-?O)(nicotinamide-?N)zinc(II)]-water (1/1/2).
| S-EPMC3006769 | biostudies-literature
Unknown Crystal structure of catena-poly[[[di-aqua-bis-(2,4,6-tri-methyl-benzoato-κO)cobalt(II)]-μ-aqua-κ2O:O] dihydrate].
| S-EPMC5418789 | biostudies-literature
Unknown Bis[4-(methyl-amino)benzoato-κO]bis-(nicotinamide-κN)zinc(II).
| S-EPMC2968013 | biostudies-literature
Unknown Crystal structure of tetra-kis-(μ-2,4,6-tri-methyl-benzoato-κ(2) O:O')bis-[(nicotinamide-κN (1))copper(II)].
| S-EPMC4571374 | biostudies-literature
Unknown Diaqua-bis(5-bromo-2-hydroxy-benzoato)bis-(N-methyl-nicotinamide)zinc(II).
| S-EPMC2983787 | biostudies-literature
Unknown Bis[?-4-(methyl-amino)-benzoato]-?O,O':O;?O:O,O'-bis-{aqua-[4-(methyl-amino)-benzoato-?O,O'](nicotinamide-?N)cadmium(II)}.
| S-EPMC3011491 | biostudies-literature