The title compound, C3H3N3S3, is a triclinic modification. The other reported modification crystallizes with just one molecule in the asymmetric unit, [Guo et al. (2006 ▶). Cryst. Growth Des. 6, 846–848] and was solved by power X-ray diffraction data. The present modification has Z′ = 2. In the crystal, molecules are linked by strong intramolecular N—H⋯S hydrogen bonds with set graph-motif R 2 2(8). In both molecules, all of the N atoms and two of the S atoms are involved in hydrogen bonding, with an average H⋯S distance of 2.58 Å and N—H⋯S angles in the range 163–167°. π–π stacking interactions are not observed. In the solid state, the molecules exist in the thione form. The molecular and supramolecular properties are similar in both polymorphs.
The title compound, [systematic name: 5a-acetoxymethyl-3-isopropyl-8-methyl-1,2,3,3a,4,5,5a,6,7,10,10a,10b-dodecahydro-7,10-endo-epidioxycyclohepta[e]indene-3a-carboxylic acid], C22H32O6 (I), is closely related to methyl 5a-acetoxymethyl-3-isopropyl-8-methyl-1,2,3,3a,4,5,5a,6,7,10,10a,10b-dodecahydro-7,10-endo-epidioxycyclohepta[e]indene-3a-carboxylate, (II) [Brito et al., (2008 ▶). Acta Cryst. E64, o1209]. There are two molecules in the asymmetric unit, which are linked by two strong intramolecular O—H⋯O hydrogen bonds with graph-set motif R 2 2(8). In both (I) and (II), the conformation of the three fused rings are almost identical. The five-membered ring has an envelope conformation, the six-membered ring has a chair conformation and the seven-membered ring has a boat conformation. The most obvious differences between the two compounds is the observed disorder of the acetoxymethyl fragments in both molecules of the asymmetric unit of (I). This disorder is not observed in (II). The crystal structure and the molecular conformation is stabilized by intermolecular C—H⋯O hydrogen bonds. The ability to form hydrogen bonds is different in the two compounds. The crystal studied was a non-merohedral twin, the ratio of the twin components being 0.28 (1):0.72 (1)
Two new dicationic ionic liquids 1,7-bis(3-methylimidazolium-1-yl)heptane bromide (I) and 1,8-bis(3-methylimidazolium-1-yl)octane bromide (II) have been synthesized and characterized by elemental analysis, FT-IR, 1 H and 13 C NMR, and TG-DSC techniques. The compound (I) is liquid at room temperature, whereas (II) is liquid at 42.7ºC.
Poster Sessions two distinct shapes. X-ray diffraction has shown these two crystals to be different forms (orthorhombic and cubic) of a cationic cluster of composition [Cu21(sacc)6(phen)12] 12+. The penta-anionic saccharate adopts a different binding mode in each of the copper clusters. The spaces between the copper clusters are also of interest. The cubic form has a cell length of 73.7 Å and each unit cell contains a void with an approximate volume of 30,000Å 3 .
The title compound, C14H20O5S·0.5H2O, crystallizes with two organic molecules and a solvent water molecule in the asymmetric unit. In both molecules, the hexapyranosyl rings adopt a slightly distorted chair conformation (5 C 2) with four substituents in equatorial positions and one substituent in an axial position. The main difference between the organic molecules is the dihedral angle between the phenyl ring and the best plane defined by the O—C1—C2—C3 atoms (r.m.s deviations = 0.003 and 0.043 Å) of the hexapyranosyl rings [47.4 (4) and 86.5 (4)°]. In the asymmetric unit, molecules are linked by two strong O—H⋯O hydrogen bonds. In the crystal, the components are linked by a total of 10 distinct O—H⋯O hydrogen bonds, resulting in the formation of a two-dimensional network parallel to the ab plane.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.
customersupport@researchsolutions.com
10624 S. Eastern Ave., Ste. A-614
Henderson, NV 89052, USA
This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.
Copyright © 2024 scite LLC. All rights reserved.
Made with 💙 for researchers
Part of the Research Solutions Family.