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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.

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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 crystal packing of compound (I), viewed perpendicular to the ac plane. Dashed lines represent hydrogen-bonding inter­actions of the types N—H⋯O (blue), N—H⋯Br (pink), O—H⋯O (red) and O—H⋯Br (black).
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fig2: The crystal packing of compound (I), viewed perpendicular to the ac plane. Dashed lines represent hydrogen-bonding inter­actions of the types N—H⋯O (blue), N—H⋯Br (pink), O—H⋯O (red) and O—H⋯Br (black).

Mentions: The individual mol­ecular or ionic components of (I) are arranged in rows extending parallel to [100]. The packing in the crystal structure of (I) involves not only hydrogen bonds of the type N—H⋯O between urea amino donor groups and the O acceptor atoms of carbonyl groups, the water mol­ecule, or the Cr2O72− anion, but also N—H⋯Br hydrogen bonding between the urea amino groups and the Br− anion (Table 1 ▸). O—H⋯Br inter­actions involving the water mol­ecule are also observed. All these inter­actions are responsible for the formation of an intricate three-dimensional hydrogen-bonded network in (I) (Fig. 2 ▸).


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 crystal packing of compound (I), viewed perpendicular to the ac plane. Dashed lines represent hydrogen-bonding inter­actions of the types N—H⋯O (blue), N—H⋯Br (pink), O—H⋯O (red) and O—H⋯Br (black).
© Copyright Policy - open-access
Related In: Results  -  Collection

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

fig2: The crystal packing of compound (I), viewed perpendicular to the ac plane. Dashed lines represent hydrogen-bonding inter­actions of the types N—H⋯O (blue), N—H⋯Br (pink), O—H⋯O (red) and O—H⋯Br (black).
Mentions: The individual mol­ecular or ionic components of (I) are arranged in rows extending parallel to [100]. The packing in the crystal structure of (I) involves not only hydrogen bonds of the type N—H⋯O between urea amino donor groups and the O acceptor atoms of carbonyl groups, the water mol­ecule, or the Cr2O72− anion, but also N—H⋯Br hydrogen bonding between the urea amino groups and the Br− anion (Table 1 ▸). O—H⋯Br inter­actions involving the water mol­ecule are also observed. All these inter­actions are responsible for the formation of an intricate three-dimensional hydrogen-bonded network in (I) (Fig. 2 ▸).

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