metal-organic compounds
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The asymmetric unit of the title complex, [Tb2(C7H5O2)6(C12H8N2)2]·2C7H6O2, consists of one-half of the complex molecule, which lies on a crystallographic inversion centre, and one benzoic acid solvent molecule. The two TbIII ions are linked by four bridging benzoate ions, with a TbTb distance of 3.9280 (6) Å. Additionally, each TbIII ion is coordinated by one phenanthroline heterocycle and a bidentate benzoate ion. The irregular nine-coordinated geometry of the TbIII ion is composed of seven O and two N atoms. The molecular structure is stabilized by intramolecular C—HO hydrogen bonds. In the crystal structure, molecules are linked into chains along the a axis by intermolecular C—HO hydrogen bonds. The crystal structure is further stabilized by intermolecular C—HO and C—Hπ interactions. Weak π–π interactions are also observed [centroid–centroid distances = 3.6275 (14)–3.6604 (14) Å].
metal-organic compounds
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The asymmetric unit of the title compound, [Fe(C5H5)(C7H8N3S)], consists of two crystallographically independent molecules, A and B. The cyclopentadienyl (Cp) rings in both molecules adopt an eclipsed conformation and are parallel to each other, forming dihedral angles of 2.5 (3) and 1.1 (3)°, respectively. The mean plane of the semicarbazone group is coplanar with the attached Cp ring in molecule A, whereas it is twisted away in molecule B. In the crystal structure, intermolecular N—HS hydrogen bonds link the molecules into two-dimensional planes parallel to the ab plane. The structure is further consolidated by C—Hπ interactions.
metal-organic compounds
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The asymmetric unit of title compound, [Fe(C5H5)(C9H12N3S)], contains two crystallographically independent molecules, A and B. The two cyclopentadienyl (Cp) rings are parallel to each other in both molecules, forming dihedral angles of 2.3 (3) and 1.0 (3)°, respectively, and adopt an eclipsed conformation. The mean plane of the semicarbazone group is twisted slightly away from the attached Cp ring in both molecules, the dihedral angles between the mean plane and the Cp ring being 15.3 (2) and 10.8 (2)°. The ethyl group in molecule A is coplanar with the mean plane of the semicarbazone group [C—N—C—C torsion angle = −175.2 (4)°], whereas it is nearly perpendicular in molecule B [C—N—C—C torsion angle = 84.8 (6)°]. In the crystal structure, intermolecular N—HS hydrogen bonds link the molecules into dimers. These dimers are further linked into chains via intermolecular C—HS hydrogen bonds. The crystal studied was a non-merohedral twin with a refined ratio of the twin components of 0.265 (2):0.735 (2).
metal-organic compounds
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In the title compound, [Na(C6H3Cl2O3S)(H2O)]n, the NaI ion is pentacoordinated by three dichlorobenzenesulfonate anions and two water molecules, forming a distorted trigonal-bipyramidal geometry. The NaI ions are bridged by the sulfonate groups and the water molecules, leading to a polymeric layer structure parallel to the bc plane in which O—HO hydrogen bonds are observed.
organic compounds
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The title compound, C27H45Cl, is a second monoclinic polymorph which crystallizes in the space group P21 with four crystallographically independent molecules in the asymmetric unit. The structure was previously reported [Bernal et al. (1940). Philos. Trans. R. Soc. London Ser. B, 239, 135–182; Vani & Vijayan (1979). Mol. Cryst. Liq. Cryst. 51, 253–264], also in the space group P21, but with two unique molecules in the asymmetric unit. As in the previously reported structures, rings A and C in the molecule adopt chair conformations with half-chair conformations for rings B and D. The ring junctions B–C and C–D are trans, whereas the junction A–B is quasi-trans. In the crystal structure, molecules are arranged in a head-to-tail fashion along a and are stacked along the b axis.
organic compounds
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The asymmetric unit of the title compound, C30H46O4·0.5CHCl3, consists of one koetjapic acid [systematic name: (3R,4aR,4bS,7S,8S,10bS,12aS)-7-(2-carboxyethyl)-3,4b,7,10b,12a-pentamethyl-8-(prop-1-en-2-yl)-1,2,3,4,4a,4b,5,6,7,8,9,10,10b,11,12,12a-hexadecahydrochrysene-3-carboxylic acid] molecule and one half-molecule of chloroform solvent, which is disordered about a twofold rotation axis. The symmetry-independent component is further disordered over two sites, with occupancies of 0.30 and 0.20. The koetjapic acid contains a fused four-ring system, A/B/C/D. The A/B, B/C and C/D junctions adopt E/trans/cis configurations, respectively. The conformation of ring A is intermediate between envelope and half-chair and ring B adopts an envelope conformation whereas rings C and D adopt chair conformations. A weak intramolecular C—HO hydrogen bond is observed. The koetjapic acid molecules are linked into dimers by two pairs of intermolecular O—HO hydrogen bonds. The dimers are stacked along the c axis.