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(2E)-3-(3-Bromo-phen-yl)-1-(4-chloro-phen-yl)prop-2-en-1-one: a non-merohedral twin.

Li H, Kamath KP, Narayana B, Yathirajan HS, Harrison WT - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: In the title compound, C(15)H(10)BrClO, the mol-ecule adopts an E configuration with respect to the C=C double bond and the dihedral angle between the aromatic ring planes is 3.98 (16)°.The crystal studied was a non-merohedral twin with a ratio of the twin components of 0.9093 (13):0.0907 (13).The twin operation is a twofold rotation around c*.

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ABSTRACT
In the title compound, C(15)H(10)BrClO, the mol-ecule adopts an E configuration with respect to the C=C double bond and the dihedral angle between the aromatic ring planes is 3.98 (16)°. In the crystal, inversion dimers linked by pairs of C-H⋯O bonds are seen and weak π-π stacking [centroid-centroid separation = 3.8776 (19) Å] may further consolidate the structure. The crystal studied was a non-merohedral twin with a ratio of the twin components of 0.9093 (13):0.0907 (13). The twin operation is a twofold rotation around c*.

No MeSH data available.


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The molecular structure of the title compound with displacement ellipsoids drawn at the 50% probability level and H atoms shown as spheres of arbitrary radius.
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Fap1: The molecular structure of the title compound with displacement ellipsoids drawn at the 50% probability level and H atoms shown as spheres of arbitrary radius.


(2E)-3-(3-Bromo-phen-yl)-1-(4-chloro-phen-yl)prop-2-en-1-one: a non-merohedral twin.

Li H, Kamath KP, Narayana B, Yathirajan HS, Harrison WT - Acta Crystallogr Sect E Struct Rep Online (2009)

The molecular structure of the title compound with displacement ellipsoids drawn at the 50% probability level and H atoms shown as spheres of arbitrary radius.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2977300&req=5

Fap1: The molecular structure of the title compound with displacement ellipsoids drawn at the 50% probability level and H atoms shown as spheres of arbitrary radius.
Bottom Line: In the title compound, C(15)H(10)BrClO, the mol-ecule adopts an E configuration with respect to the C=C double bond and the dihedral angle between the aromatic ring planes is 3.98 (16)°.The crystal studied was a non-merohedral twin with a ratio of the twin components of 0.9093 (13):0.0907 (13).The twin operation is a twofold rotation around c*.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title compound, C(15)H(10)BrClO, the mol-ecule adopts an E configuration with respect to the C=C double bond and the dihedral angle between the aromatic ring planes is 3.98 (16)°. In the crystal, inversion dimers linked by pairs of C-H⋯O bonds are seen and weak π-π stacking [centroid-centroid separation = 3.8776 (19) Å] may further consolidate the structure. The crystal studied was a non-merohedral twin with a ratio of the twin components of 0.9093 (13):0.0907 (13). The twin operation is a twofold rotation around c*.

No MeSH data available.


Related in: MedlinePlus