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Crystal structure of hexa-kis-(urea-κO)chromium(III) dichromate bromide monohydrate from synchrotron X-ray data.

Moon D, Tanaka S, Akitsu T, Choi JH - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The Cr-O bond lengths involving the urea ligands are in the range 1.9534 (13)-1.9776 (12) Å.The Br(-) anion links the complex cation, as well as the solvent water mol-ecule, through N-H⋯Br and O-H⋯Br hydrogen-bonding inter-actions.The supra-molecular architecture also includes N-H⋯O and O-H⋯O hydrogen bonding between urea N-H and water O-H donor groups and the O atoms of the Cr2O7 (2-) anion as acceptor atoms, leading to a three-dimensional network structure.

View Article: PubMed Central - HTML - PubMed

Affiliation: Pohang Accelerator Laboratory, POSTECH, Pohang 37673, Republic of Korea.

ABSTRACT
The title bromide salt, [Cr{CO(NH2)2}6](Cr2O7)Br·H2O, is isotypic to the corresponding chloride salt. Within the complex cation, the Cr(III) atom is coordinated by six O atoms of six urea ligands, displaying a slightly distorted octa-hedral coordination environment. The Cr-O bond lengths involving the urea ligands are in the range 1.9534 (13)-1.9776 (12) Å. The Cr2O7 (2-) anion has a nearly staggered conformation, with a bridging angle of 130.26 (10)°. The individual components are arranged in rows extending parallel to [100]. The Br(-) anion links the complex cation, as well as the solvent water mol-ecule, through N-H⋯Br and O-H⋯Br hydrogen-bonding inter-actions. The supra-molecular architecture also includes N-H⋯O and O-H⋯O hydrogen bonding between urea N-H and water O-H donor groups and the O atoms of the Cr2O7 (2-) anion as acceptor atoms, leading to a three-dimensional network structure.

No MeSH data available.


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The mol­ecular structures of the components in compound (I), showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
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fig1: The mol­ecular structures of the components in compound (I), showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.

Mentions: In order to check if compound (I) is isotypic to [Cr(urea)6](Cr2O7)Cl·H2O investigated previously (Bondar et al., 1984 ▸), a single-crystal X-ray structure determination was performed on the basis of synchrotron data. Compound (I) consists of the isolated complex cation [Cr(urea)6]3+, together with Cr2O72− and Br− counter-ions and a solvent water mol­ecule. Comparison of the space-group type, metrics and the arrangement of the mol­ecular components reveal (I) to be isotypic to the corresponding chloride salt. An ellipsoid plot of the mol­ecular components of compound (I) is depicted in Fig. 1 ▸.


Crystal structure of hexa-kis-(urea-κO)chromium(III) dichromate bromide monohydrate from synchrotron X-ray data.

Moon D, Tanaka S, Akitsu T, Choi JH - Acta Crystallogr E Crystallogr Commun (2015)

The mol­ecular structures of the components in compound (I), showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4644995&req=5

fig1: The mol­ecular structures of the components in compound (I), showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
Mentions: In order to check if compound (I) is isotypic to [Cr(urea)6](Cr2O7)Cl·H2O investigated previously (Bondar et al., 1984 ▸), a single-crystal X-ray structure determination was performed on the basis of synchrotron data. Compound (I) consists of the isolated complex cation [Cr(urea)6]3+, together with Cr2O72− and Br− counter-ions and a solvent water mol­ecule. Comparison of the space-group type, metrics and the arrangement of the mol­ecular components reveal (I) to be isotypic to the corresponding chloride salt. An ellipsoid plot of the mol­ecular components of compound (I) is depicted in Fig. 1 ▸.

Bottom Line: The Cr-O bond lengths involving the urea ligands are in the range 1.9534 (13)-1.9776 (12) Å.The Br(-) anion links the complex cation, as well as the solvent water mol-ecule, through N-H⋯Br and O-H⋯Br hydrogen-bonding inter-actions.The supra-molecular architecture also includes N-H⋯O and O-H⋯O hydrogen bonding between urea N-H and water O-H donor groups and the O atoms of the Cr2O7 (2-) anion as acceptor atoms, leading to a three-dimensional network structure.

View Article: PubMed Central - HTML - PubMed

Affiliation: Pohang Accelerator Laboratory, POSTECH, Pohang 37673, Republic of Korea.

ABSTRACT
The title bromide salt, [Cr{CO(NH2)2}6](Cr2O7)Br·H2O, is isotypic to the corresponding chloride salt. Within the complex cation, the Cr(III) atom is coordinated by six O atoms of six urea ligands, displaying a slightly distorted octa-hedral coordination environment. The Cr-O bond lengths involving the urea ligands are in the range 1.9534 (13)-1.9776 (12) Å. The Cr2O7 (2-) anion has a nearly staggered conformation, with a bridging angle of 130.26 (10)°. The individual components are arranged in rows extending parallel to [100]. The Br(-) anion links the complex cation, as well as the solvent water mol-ecule, through N-H⋯Br and O-H⋯Br hydrogen-bonding inter-actions. The supra-molecular architecture also includes N-H⋯O and O-H⋯O hydrogen bonding between urea N-H and water O-H donor groups and the O atoms of the Cr2O7 (2-) anion as acceptor atoms, leading to a three-dimensional network structure.

No MeSH data available.


Related in: MedlinePlus