Crystal structures of two polymorphs for <i>fac</i>-bromidotricarbonyl[4-(4-methoxyphenyl)-2-(pyridin-2-yl)thiazole-κ<sup>2</sup> <i>N</i>,<i>N</i>′]rhenium(I)

Crystallization of the title compound, <i>fac</i>-[ReBr(ppt-OMe)(CO)<sub>3</sub>] (ppt-OMe = C<sub>15</sub>H<sub>12</sub>N<sub>2</sub>OS), from CH<sub>2</sub>Cl<sub>2</sub>/<i>n</i>-pentane (1:5 <i>v</i>/<i>v</i>) at room temperature gave two polymorphs, which crystallize in monoclinic (<i>P</i>2<sub>1</sub>/<i>c</i>; α form) and ortho-rhom-bic (<i>Pna</i>2<sub>1</sub>; β form) space groups. The Re<sup>I</sup> complex mol-ecules in either polymorph adopt a six-coordinate octa-hedral geometry with three <i>facially</i>-oriented carbonyl ligands, one bromido ligand, and two nitro-gen atoms from one chelating ligand ppt-OMe. In the crystal, both polymorph α and β form di-periodic sheet-like architectures supported by multiple hydrogen bonds. In polymorph α, two types of hydrogen bonds (C-H⋯O) are found while, in polymorph β, four types of hydrogen bonds (C-H⋯O and C-H⋯Br) exist.

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Publication Details

Journal
Acta Crystallographica Section E Crystallographic Communications
Published
2024-11-08
DOI
https://doi.org/10.1107/s2056989024010727
Primary Topic
Crystallography and molecular interactions
Type
article
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article

Crystal structures of two polymorphs for fac-bromidotricarbonyl[4-(4-methoxyphenyl)-2-(pyridin-2-yl)thiazole-κ2 N,N′]rhenium(I)

Yoshiki Ozawa, Masaaki Abe, Yuki Matsuda, Ryota Nakamura
Acta Crystallographica Section E Crystallographic Communications
Crystallography and molecular interactions
article

Crystal structures of two polymorphs for fac-bromidotricarbonyl[4-(4-methoxyphenyl)-2-(pyridin-2-yl)thiazole-κ2 N,N′]rhenium(I)

Yoshiki Ozawa, Masaaki Abe, Yuki Matsuda, Ryota Nakamura
article en

Abstract

Crystallization of the title compound, <i>fac</i>-[ReBr(ppt-OMe)(CO)<sub>3</sub>] (ppt-OMe = C<sub>15</sub>H<sub>12</sub>N<sub>2</sub>OS), from CH<sub>2</sub>Cl<sub>2</sub>/<i>n</i>-pentane (1:5 <i>v</i>/<i>v</i>) at room temperature gave two polymorphs, which crystallize in monoclinic (<i>P</i>2<sub>1</sub>/<i>c</i>; α form) and ortho-rhom-bic (<i>Pna</i>2<sub>1</sub>; β form) space groups. The Re<sup>I</sup> complex mol-ecules in either polymorph adopt a six-coordinate octa-hedral geometry with three <i>facially</i>-oriented carbonyl ligands, one bromido ligand, and two nitro-gen atoms from one chelating ligand ppt-OMe. In the crystal, both polymorph α and β form di-periodic sheet-like architectures supported by multiple hydrogen bonds. In polymorph α, two types of hydrogen bonds (C-H⋯O) are found while, in polymorph β, four types of hydrogen bonds (C-H⋯O and C-H⋯Br) exist.

Acta Crystallographica Section E Crystallographic CommunicationsVol. 80(12)
University of Hyogo (JP)
Japan Society for the Promotion of Science, Japan Science and Technology Agency
Clean water and sanitation
Openalex Percentile: Top 77%
Crystallography and molecular interactions
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