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The crystal structures of two chalcones: (2E)-1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)prop-2-en-1-one and (2E)-1-(anthracen-9-yl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one

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Glidewell_2016_ACSE_TwoChalcones_CC.pdf (999.4Kb)
Date
01/08/2016
Author
Girisha, Marisiddaiah
Yathirajan, Hemmige S.
Jasinski, Jerry P.
Glidewell, Christopher
Keywords
Crystal structure
Synthesis
Chalcones
Molecular structure
Molecular conformation
Conformational disorder
Hydrogen bonding
Supramolecular assembly
QD Chemistry
DAS
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Abstract
In the crystal of compound (I), C14H11ClOS, molecules are linked by C---H···O hydrogen bonds to form simple it C(5) chains. Compound (II), C26H22O, crystallizes with it Z' = 2 in space group it P-1; one of the molecules is fully ordered but the other is disordered over two sets of atomic sites having occupancies 0.644 (3) and 0.356 (3). The two disordered components differ from one another in the orientation of the isopropyl substituents, and both differ from the ordered molecules in the arrangement of the central propenone spacer unit, so that the crystal of (II) contains three distinct conformers. The ordered and disordered conformers each form a it C(8) chain built from a single type of C---H···O hydrogen bond but those formed by the disordered conformers differ from that formed by the ordered form.
Citation
Girisha , M , Yathirajan , H S , Jasinski , J P & Glidewell , C 2016 , ' The crystal structures of two chalcones: (2 E )-1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)prop-2-en-1-one and (2 E )-1-(anthracen-9-yl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one ' , Acta Crystallographica Section E: Crystallographic Communications , vol. 72 , no. 8 , pp. 1153-1158 . https://doi.org/10.1107/S2056989016011592
Publication
Acta Crystallographica Section E: Crystallographic Communications
Status
Peer reviewed
DOI
https://doi.org/10.1107/S2056989016011592
ISSN
2056-9890
Type
Journal article
Rights
This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
Description
MG thanks the UGC for the award of a Rajeev Gandhi fellowship and HSY thanks the University of Mysore for research facilities. JPJ acknowledges the NSF–MRI program (grant No. 1039027) for funds to purchase the X-ray diffractometer.
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  • University of St Andrews Research
URI
http://hdl.handle.net/10023/9574

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