The title compound, C13H16ClNO2, crystallized with two independent mol-ecules in the asymmetric unit (A and B). The piperidinol ring in mol-ecule B is disordered over two positions with a site occupancy ratio of 0.667 (5):0.333 (5). In both mol-ecules these rings have a chair conformation, including the minor component in mol-ecule B. Their mean planes are inclined to the benzene ring by 45.57 (13)° in mol-ecule A, and by 50.5 (4)° for the major component of the piperidine ring in mol-ecule B. In the crystal, the individual mol-ecules are linked by O-H⋯O hydrogen bonds, forming chains of A and B mol-ecules along the [100] direction. The chains are inter-linked by C-H⋯O hydrogen bonds, forming ribbons.
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http://dx.doi.org/10.1107/S2056989015016096 | DOI Listing |
IUCrdata
December 2024
EaStCHEM School of Chemistry, University of St Andrews, St Andrews, Fife KY16 9ST, United Kingdom.
In the title compound, CHNO the pyrrolidine ring is almost planar and subtends a dihedral angle of 85.77 (7)° with the pendant phenyl ring. An intra-molecular N-H⋯O hydrogen bond generates an (6) loop.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
January 2025
Osaka Research Institute of Industrial Science and Technology, 1-6-50 Morinomiya, Joto-ku, Osaka 536-8553, Japan.
The asymmetric unit of the title compound is composed of one host mol-ecule, -4-(1 ,5 -3-aza-1,5(3,9)-dicarbazola-cyclo-octa-phane-3-yl)benzo-nitrile and one di-chloro-methane solvate mol-ecule, CHN·CHCl. The host mol-ecule possesses a planar chirality but crystallizes as a racemate in the space group 2/. It adopts an -configuration, in which two carbazole rings are partially overlapped with a parallel orientation.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
January 2025
School of Chemical and Biological Engineering, Seoul National University, 1, Gwanak-ro, Gwanak-gu, Seoul 08826, South Korea.
The crystal structure of a highly loaded complex of silicalite-1 (SL-1) with eight mol-ecules of -xylene per unit cell has been solved by single-crystal X-ray diffraction. In the crystal, four symmetrical SiO·2CH subunits per unit cell are observed. The -xylene mol-ecules sit at two different positions within the SL-1 channels.
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January 2025
University of Lodz Faculty of Chemistry Pomorska 163/165 90-236 Łódź Poland.
The crystal structure of luliconazole {LCZ; CHClNS; systematic name: ()-[(4)-4-(2,4-di-chloro-phen-yl)-1,3-di-thio-lan-2-yl-idene](1-imidazol-1-yl)aceto-nitrile} is reported. In the mol-ecule of the title compound, the di-thiol-ane ring adopts an envelope conformation, while the di-chloro-phenyl ring exhibits disorder. In the crystal packing of luliconazole, only two inter-molecular C-H⋯N hydrogen bonds are observed.
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January 2025
Department of Chemistry, Bahir Dar University, PO Box 79, Bahir Dar, Ethiopia.
The asymmetric unit of the title compound, CHN·Br·CFI, contains one 2,2,6,6 tetra-methyl-piperidine-1-ium cation, one 1,2,3,4-tetra-fluoro-5,6-di-iodo-benzene mol-ecule, and one uncoordinated bromide anion. In the crystal, the bromide anions link the 2,2,6,6-tetra-methyl-piperidine mol-ecules by inter-molecular C-H⋯Br and N-H⋯Br hydrogen bonds, leading to dimers, with the coplanar 1,2,3,4-tetra-fluoro-5,6-di-iodo-benzene mol-ecules filling the space between them. There is a π-π interaction between the almost parallel benzene rings [dihedral angle = 10.
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