Investigation of nitro-nitrito photoisomerization

Crystal structures of trans-bis(acetylacetonato-O,O′)(pyridine/4-methylpyridine/3-hydroxypridine) nitrocobalt(III)

Shigeru Ohba, Masanobu Tsuchimoto, Hiroki Miyazaki

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2 Citations (Scopus)

Abstract

The reaction cavities of the nitro groups in the title compounds, trans-bis(acetylacetonato-κ2 O,O′)(nitro)(pyridine-κN)cobalt(III), [Co(C5H7O2)2(NO2)(C5H5N)], (I), trans-bis(acetylacetonato-κ2 O,O′)(4-methylpyridine-κN)(nitro)cobalt(III), [Co(C5H7O2)2(NO2)(C6H7N)], (II), and trans-bis(acetylacetonato-κ2 O,O′)(3-hydroxypyridine-κN)(nitro)cobalt(III) monohydrate, [Co(C5H7O2)2(NO2)(C5H5NO)]·H2O, (III), have been investigated to reveal that bifurcated intermolecular C(py) - H⋯O,O contacts in (III) are unfeasible for the nitro-nitrito photochemical linkage isomerization process. In each structure, the pyridine ring and the Co atom lie on a crystallographic mirror plane; in (I) and (II) the nitro group lies in the same plane, whereas in (III), which crystallizes as a monohydrate, the nitro group is disordered over three orientations in a 0.672 (16):0.164 (8):0.164 (8) ratio; the water molecule of crystallization is statistically disordered over two sites adjacent to the mirror plane. In the crystals of (I) and (II), the molecules are linked into [100] chains by C - H⋯O hydrogen bonds, whereas the extended structure of (III) features (010) layers linked by O - H⋯O and C - H⋯O hydrogen bonds. Compounds (I) and (II) were refined as inversion twins.

Original languageEnglish
Pages (from-to)1637-1642
Number of pages6
JournalActa Crystallographica Section E: Crystallographic Communications
Volume74
DOIs
Publication statusPublished - 2018 Jan 1

Fingerprint

Photoisomerization
Cobalt
Pyridine
pyridines
cobalt
Crystal structure
crystal structure
Hydrogen bonds
Mirrors
mirrors
hydrogen bonds
Molecules
Isomerization
Crystallization
linkages
isomerization
molecules
crystallization
inversions
Atoms

Keywords

  • Crystal structure
  • nitro-nitrito photo linkage-isomerization
  • reaction cavity

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

Cite this

@article{3256433f1c82492ba508aecc4f4bab90,
title = "Investigation of nitro-nitrito photoisomerization: Crystal structures of trans-bis(acetylacetonato-O,O′)(pyridine/4-methylpyridine/3-hydroxypridine) nitrocobalt(III)",
abstract = "The reaction cavities of the nitro groups in the title compounds, trans-bis(acetylacetonato-κ2 O,O′)(nitro)(pyridine-κN)cobalt(III), [Co(C5H7O2)2(NO2)(C5H5N)], (I), trans-bis(acetylacetonato-κ2 O,O′)(4-methylpyridine-κN)(nitro)cobalt(III), [Co(C5H7O2)2(NO2)(C6H7N)], (II), and trans-bis(acetylacetonato-κ2 O,O′)(3-hydroxypyridine-κN)(nitro)cobalt(III) monohydrate, [Co(C5H7O2)2(NO2)(C5H5NO)]·H2O, (III), have been investigated to reveal that bifurcated intermolecular C(py) - H⋯O,O contacts in (III) are unfeasible for the nitro-nitrito photochemical linkage isomerization process. In each structure, the pyridine ring and the Co atom lie on a crystallographic mirror plane; in (I) and (II) the nitro group lies in the same plane, whereas in (III), which crystallizes as a monohydrate, the nitro group is disordered over three orientations in a 0.672 (16):0.164 (8):0.164 (8) ratio; the water molecule of crystallization is statistically disordered over two sites adjacent to the mirror plane. In the crystals of (I) and (II), the molecules are linked into [100] chains by C - H⋯O hydrogen bonds, whereas the extended structure of (III) features (010) layers linked by O - H⋯O and C - H⋯O hydrogen bonds. Compounds (I) and (II) were refined as inversion twins.",
keywords = "Crystal structure, nitro-nitrito photo linkage-isomerization, reaction cavity",
author = "Shigeru Ohba and Masanobu Tsuchimoto and Hiroki Miyazaki",
year = "2018",
month = "1",
day = "1",
doi = "10.1107/S2056989018014731",
language = "English",
volume = "74",
pages = "1637--1642",
journal = "Acta Crystallographica Section E: Crystallographic Communications",
issn = "2056-9890",
publisher = "International Union of Crystallography",

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TY - JOUR

T1 - Investigation of nitro-nitrito photoisomerization

T2 - Crystal structures of trans-bis(acetylacetonato-O,O′)(pyridine/4-methylpyridine/3-hydroxypridine) nitrocobalt(III)

AU - Ohba, Shigeru

AU - Tsuchimoto, Masanobu

AU - Miyazaki, Hiroki

PY - 2018/1/1

Y1 - 2018/1/1

N2 - The reaction cavities of the nitro groups in the title compounds, trans-bis(acetylacetonato-κ2 O,O′)(nitro)(pyridine-κN)cobalt(III), [Co(C5H7O2)2(NO2)(C5H5N)], (I), trans-bis(acetylacetonato-κ2 O,O′)(4-methylpyridine-κN)(nitro)cobalt(III), [Co(C5H7O2)2(NO2)(C6H7N)], (II), and trans-bis(acetylacetonato-κ2 O,O′)(3-hydroxypyridine-κN)(nitro)cobalt(III) monohydrate, [Co(C5H7O2)2(NO2)(C5H5NO)]·H2O, (III), have been investigated to reveal that bifurcated intermolecular C(py) - H⋯O,O contacts in (III) are unfeasible for the nitro-nitrito photochemical linkage isomerization process. In each structure, the pyridine ring and the Co atom lie on a crystallographic mirror plane; in (I) and (II) the nitro group lies in the same plane, whereas in (III), which crystallizes as a monohydrate, the nitro group is disordered over three orientations in a 0.672 (16):0.164 (8):0.164 (8) ratio; the water molecule of crystallization is statistically disordered over two sites adjacent to the mirror plane. In the crystals of (I) and (II), the molecules are linked into [100] chains by C - H⋯O hydrogen bonds, whereas the extended structure of (III) features (010) layers linked by O - H⋯O and C - H⋯O hydrogen bonds. Compounds (I) and (II) were refined as inversion twins.

AB - The reaction cavities of the nitro groups in the title compounds, trans-bis(acetylacetonato-κ2 O,O′)(nitro)(pyridine-κN)cobalt(III), [Co(C5H7O2)2(NO2)(C5H5N)], (I), trans-bis(acetylacetonato-κ2 O,O′)(4-methylpyridine-κN)(nitro)cobalt(III), [Co(C5H7O2)2(NO2)(C6H7N)], (II), and trans-bis(acetylacetonato-κ2 O,O′)(3-hydroxypyridine-κN)(nitro)cobalt(III) monohydrate, [Co(C5H7O2)2(NO2)(C5H5NO)]·H2O, (III), have been investigated to reveal that bifurcated intermolecular C(py) - H⋯O,O contacts in (III) are unfeasible for the nitro-nitrito photochemical linkage isomerization process. In each structure, the pyridine ring and the Co atom lie on a crystallographic mirror plane; in (I) and (II) the nitro group lies in the same plane, whereas in (III), which crystallizes as a monohydrate, the nitro group is disordered over three orientations in a 0.672 (16):0.164 (8):0.164 (8) ratio; the water molecule of crystallization is statistically disordered over two sites adjacent to the mirror plane. In the crystals of (I) and (II), the molecules are linked into [100] chains by C - H⋯O hydrogen bonds, whereas the extended structure of (III) features (010) layers linked by O - H⋯O and C - H⋯O hydrogen bonds. Compounds (I) and (II) were refined as inversion twins.

KW - Crystal structure

KW - nitro-nitrito photo linkage-isomerization

KW - reaction cavity

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EP - 1642

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JF - Acta Crystallographica Section E: Crystallographic Communications

SN - 2056-9890

ER -