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Crystal structure of the chalcone (E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one.

Vázquez-Vuelvas OF, Enríquez-Figueroa RA, García-Ortega H, Flores-Alamo M, Pineda-Contreras A - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The title chalcone derivative, C13H10O2, adopts an E conformation about the C=C double bond.The mol-ecule is composed of a furanyl and a phenyl ring, bridged by an α,β-unsaturated carbonyl system, which are inclined to one another by 24.07 (7)°.In the crystal, mol-ecules are connected by weak C-H⋯O hydrogen bonds involving the carbonyl O atom acting as a trifurcated acceptor and C-H⋯π inter-actions, forming ribbons extending along the c-axis direction.

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Affiliation: Facultad de Ciencias Químicas, Universidad de Colima, Km 9 Carr. Colima-Coquimatlán s/n, Coquimatlán, Colima 28400, Mexico.

ABSTRACT
The title chalcone derivative, C13H10O2, adopts an E conformation about the C=C double bond. The mol-ecule is composed of a furanyl and a phenyl ring, bridged by an α,β-unsaturated carbonyl system, which are inclined to one another by 24.07 (7)°. In the crystal, mol-ecules are connected by weak C-H⋯O hydrogen bonds involving the carbonyl O atom acting as a trifurcated acceptor and C-H⋯π inter-actions, forming ribbons extending along the c-axis direction.

No MeSH data available.


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A partial packing diagram of the title compound, showing the C—H⋯π stacking inter­actions, depicted as blue and purple dotted lines for the C6—H6⋯Cg1 and C13—H13⋯Cg2 contacts, respectively. H atoms not involved in hydrogen-bonding inter­actions have been omitted for clarity.
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fig3: A partial packing diagram of the title compound, showing the C—H⋯π stacking inter­actions, depicted as blue and purple dotted lines for the C6—H6⋯Cg1 and C13—H13⋯Cg2 contacts, respectively. H atoms not involved in hydrogen-bonding inter­actions have been omitted for clarity.

Mentions: The crystal packing does not present geometrical parameters corresponding to classical hydrogen bonding (Gilli & Gilli, 2009 ▸; Steiner, 2002 ▸), neither intra- nor inter­molecular. In the crystal, centrosymmetrically related mol­ecules inter­act through a pair of weak hydrogen contacts (Table 1 ▸) with the C9 and C11 carbon atoms as donors and the O2 oxygen atom as a bifurcated acceptor, generating a ring with an (6) graph-set motif (Bernstein et al., 1995 ▸). The reciprocal inter­actions with the corresponding mol­ecule positioned in a head-to-tail mode generate the same ring motif and, as a consequence, an (10) ring is formed, describing a three-fused-ring system (Fig. 2 ▸). In addition, a weak hydrogen contact is present involving the C3 carbon atom as H-donor and the O2 oxygen atom acting, in this way, as a trifurcated acceptor. The propagation of this inter­action generates a ribbon along the c-axis direction (Fig. 2 ▸). The supra­molecular assembly is additionally supported by weak C—H⋯π inter­actions, implicating the phenyl and furanyl π systems (Fig. 3 ▸).


Crystal structure of the chalcone (E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one.

Vázquez-Vuelvas OF, Enríquez-Figueroa RA, García-Ortega H, Flores-Alamo M, Pineda-Contreras A - Acta Crystallogr E Crystallogr Commun (2015)

A partial packing diagram of the title compound, showing the C—H⋯π stacking inter­actions, depicted as blue and purple dotted lines for the C6—H6⋯Cg1 and C13—H13⋯Cg2 contacts, respectively. H atoms not involved in hydrogen-bonding inter­actions have been omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
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getmorefigures.php?uid=PMC4384596&req=5

fig3: A partial packing diagram of the title compound, showing the C—H⋯π stacking inter­actions, depicted as blue and purple dotted lines for the C6—H6⋯Cg1 and C13—H13⋯Cg2 contacts, respectively. H atoms not involved in hydrogen-bonding inter­actions have been omitted for clarity.
Mentions: The crystal packing does not present geometrical parameters corresponding to classical hydrogen bonding (Gilli & Gilli, 2009 ▸; Steiner, 2002 ▸), neither intra- nor inter­molecular. In the crystal, centrosymmetrically related mol­ecules inter­act through a pair of weak hydrogen contacts (Table 1 ▸) with the C9 and C11 carbon atoms as donors and the O2 oxygen atom as a bifurcated acceptor, generating a ring with an (6) graph-set motif (Bernstein et al., 1995 ▸). The reciprocal inter­actions with the corresponding mol­ecule positioned in a head-to-tail mode generate the same ring motif and, as a consequence, an (10) ring is formed, describing a three-fused-ring system (Fig. 2 ▸). In addition, a weak hydrogen contact is present involving the C3 carbon atom as H-donor and the O2 oxygen atom acting, in this way, as a trifurcated acceptor. The propagation of this inter­action generates a ribbon along the c-axis direction (Fig. 2 ▸). The supra­molecular assembly is additionally supported by weak C—H⋯π inter­actions, implicating the phenyl and furanyl π systems (Fig. 3 ▸).

Bottom Line: The title chalcone derivative, C13H10O2, adopts an E conformation about the C=C double bond.The mol-ecule is composed of a furanyl and a phenyl ring, bridged by an α,β-unsaturated carbonyl system, which are inclined to one another by 24.07 (7)°.In the crystal, mol-ecules are connected by weak C-H⋯O hydrogen bonds involving the carbonyl O atom acting as a trifurcated acceptor and C-H⋯π inter-actions, forming ribbons extending along the c-axis direction.

View Article: PubMed Central - HTML - PubMed

Affiliation: Facultad de Ciencias Químicas, Universidad de Colima, Km 9 Carr. Colima-Coquimatlán s/n, Coquimatlán, Colima 28400, Mexico.

ABSTRACT
The title chalcone derivative, C13H10O2, adopts an E conformation about the C=C double bond. The mol-ecule is composed of a furanyl and a phenyl ring, bridged by an α,β-unsaturated carbonyl system, which are inclined to one another by 24.07 (7)°. In the crystal, mol-ecules are connected by weak C-H⋯O hydrogen bonds involving the carbonyl O atom acting as a trifurcated acceptor and C-H⋯π inter-actions, forming ribbons extending along the c-axis direction.

No MeSH data available.


Related in: MedlinePlus