In the title compound, C(21)H(24)O(3), the conformation of the enone group is s-cis. The benzene rings are inclined at an angle of 7.9 (1)°. The alk-oxy tail is planar, with a maximum deviation from the least-squares plane of 0.009 (2) Å, and adopts a trans conformation throughout. An intra-molecular O-H⋯O inter-action between the keto and hydr-oxy groups forms S(6) ring motifs. In the crystal, mol-ecules are arranged in a head-to-tail manner down the a axis and are subsequently stacked along the b axis, forming mol-ecular sheets parallel to the ab plane. The crystal structure is further stabilized by weak C-H⋯π inter-actions and short C⋯O [3.376 (2) Å] contacts.
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http://dx.doi.org/10.1107/S1600536809017577 | DOI Listing |
Acta Crystallogr E Crystallogr Commun
March 2024
Facultad de Ciencias Naturales, Exactas y de la Educación, Departamento de Química, Universidad del Cauca, Calle 5 No 4-70, Popayán, Colombia.
The title compound, CHNO, crystallizes as prismatic colourless crystals in space group , with one mol-ecule in the asymmetric unit. The pyridine ring is fused to acrylic acid, forming an almost planar structure with an -configuration about the double bond with a torsion angle of -6.1 (2)°.
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November 2023
Department of Applied Chemistry, Dongduk Women's University, Seoul 136-714, Republic of Korea.
In the title mol-ecule, CHNOS, the C5=C6 double bond in the central enone group adopts a configuration. The dihedral angle between planes of the thia-zole and pyrazole rings is 6.6 (2)°.
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September 2023
Comprehensive Analysis Center for Science, Saitama University, Shimo-ohkubo 255, Sakura-ku, Saitama City, Saitama 338-8570, Japan.
Purple crystals of the title compound, CHClNS were obtained from the reaction of 2,5-bis-(4-propyl-1-pyrrol-2-yl)thio-phene and 3,5-di-chloro-benzaldehyde in the presence of tri-fluoro-acetic acid for 3 h and subsequent addition of -chloranil. The macrocycle in the title compound can be described as a highly planar structure wthe the average deviation of the 32 macrocyclic atoms from the least-squares plane being 0.0416 Å.
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December 2022
Department of Organic Chemistry and Technology, Cracow University of Technology, Warszawska 24, 31-155 Krakow, Poland.
Experimental and theoretical studies on the reaction between ()-3,3,3-trichloro-1-nitroprop-1-ene and -(4-bromophenyl)-C-arylnitrylimine were performed. It was found that the title process unexpectedly led to 1-(4-bromophenyl)-3-phenyl-5-nitropyrazole instead of the expected Δ-pyrazoline molecular system. This was the result of a unique CHCl elimination process.
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October 2022
Department of Organic Chemistry and Technology, Cracow University of Technology, Warszawska 24, 31-155 Cracow, Poland.
The first examples of [3+2] cycloaddition reactions between 3,3,3-tribromo-1-nitroprop-1-ene (TBMN) were explored on the basis of experimental and theoretical approaches. It was found that reactions involving TBMN and diarylnitrones realized with full regio- and stereoselectivity lead to respective 3,4--4,5--4-nitroisoxazolidines. The regioselecticity and the molecular mechanism of title processes was analyzed on the basis of the advanced DFT computational study.
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