3-(4-Bromophenyl)cyclopent-2-en-1-one

In the title compound, C11H9BrO, the cyclopentenone ring is almost planar with an r.m.s. deviation of 0.0097 Å. The largest inter-ring torsion angles [2.4 (3), 1.3 (3) and 3.53 (2)°] reveal only a very small twist between the rings, and suggest that the two rings are conjugated. The molecule is slig...

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Main Authors: Endrit Shurdha, Kelsey Dees, Hannah A. Miller, Scott T. Iacono, Gary J. Balaich
Format: Article
Language:English
Published: International Union of Crystallography 2014-06-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S160053681401071X
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spelling doaj-4b4e21b1b82b4d738ade38c364201a6b2020-11-25T01:21:53ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-06-01706o692o69310.1107/S160053681401071Xmw21223-(4-Bromophenyl)cyclopent-2-en-1-oneEndrit Shurdha0Kelsey Dees1Hannah A. Miller2Scott T. Iacono3Gary J. Balaich4Department of Chemistry and Chemistry Research Center, 2355 Fairchild Drive, Suite 2N 225, United States Air Force Academy, Colorado Springs, CO 80840, USADepartment of Chemistry and Chemistry Research Center, 2355 Fairchild Drive, Suite 2N 225, United States Air Force Academy, Colorado Springs, CO 80840, USADepartment of Chemistry and Chemistry Research Center, 2355 Fairchild Drive, Suite 2N 225, United States Air Force Academy, Colorado Springs, CO 80840, USADepartment of Chemistry and Chemistry Research Center, 2355 Fairchild Drive, Suite 2N 225, United States Air Force Academy, Colorado Springs, CO 80840, USADepartment of Chemistry and Chemistry Research Center, 2355 Fairchild Drive, Suite 2N 225, United States Air Force Academy, Colorado Springs, CO 80840, USAIn the title compound, C11H9BrO, the cyclopentenone ring is almost planar with an r.m.s. deviation of 0.0097 Å. The largest inter-ring torsion angles [2.4 (3), 1.3 (3) and 3.53 (2)°] reveal only a very small twist between the rings, and suggest that the two rings are conjugated. The molecule is slightly bowed, as shown by the small dihedral angle between the rings [5.3 (1)°]. The crystal packing pattern consists of parallel sheets that stack parallel to the ac plane. Each sheet consists of molecules that pack side-to-side with the same relative orientation of phenyl and cyclopentenone rings along the a- and c-axis directions. Slipped side-to-side, face-to-face and edge-to-face interactions exist between pairs of sheets with edge-to-edge and edge-to-face O...H—C(sp2) weak hydrogen-bond contacts. A relatively short edge-to-face contact (2.77 Å) also exists between pairs of sheets.http://scripts.iucr.org/cgi-bin/paper?S160053681401071X
collection DOAJ
language English
format Article
sources DOAJ
author Endrit Shurdha
Kelsey Dees
Hannah A. Miller
Scott T. Iacono
Gary J. Balaich
spellingShingle Endrit Shurdha
Kelsey Dees
Hannah A. Miller
Scott T. Iacono
Gary J. Balaich
3-(4-Bromophenyl)cyclopent-2-en-1-one
Acta Crystallographica Section E
author_facet Endrit Shurdha
Kelsey Dees
Hannah A. Miller
Scott T. Iacono
Gary J. Balaich
author_sort Endrit Shurdha
title 3-(4-Bromophenyl)cyclopent-2-en-1-one
title_short 3-(4-Bromophenyl)cyclopent-2-en-1-one
title_full 3-(4-Bromophenyl)cyclopent-2-en-1-one
title_fullStr 3-(4-Bromophenyl)cyclopent-2-en-1-one
title_full_unstemmed 3-(4-Bromophenyl)cyclopent-2-en-1-one
title_sort 3-(4-bromophenyl)cyclopent-2-en-1-one
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2014-06-01
description In the title compound, C11H9BrO, the cyclopentenone ring is almost planar with an r.m.s. deviation of 0.0097 Å. The largest inter-ring torsion angles [2.4 (3), 1.3 (3) and 3.53 (2)°] reveal only a very small twist between the rings, and suggest that the two rings are conjugated. The molecule is slightly bowed, as shown by the small dihedral angle between the rings [5.3 (1)°]. The crystal packing pattern consists of parallel sheets that stack parallel to the ac plane. Each sheet consists of molecules that pack side-to-side with the same relative orientation of phenyl and cyclopentenone rings along the a- and c-axis directions. Slipped side-to-side, face-to-face and edge-to-face interactions exist between pairs of sheets with edge-to-edge and edge-to-face O...H—C(sp2) weak hydrogen-bond contacts. A relatively short edge-to-face contact (2.77 Å) also exists between pairs of sheets.
url http://scripts.iucr.org/cgi-bin/paper?S160053681401071X
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AT kelseydees 34bromophenylcyclopent2en1one
AT hannahamiller 34bromophenylcyclopent2en1one
AT scotttiacono 34bromophenylcyclopent2en1one
AT garyjbalaich 34bromophenylcyclopent2en1one
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