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 the title polymeric complex, {[Sn2=(C6H5)6(C3H2O4)(H2O)]·C3H6O}n, comprises of two Sn cations, one malonate anion and a non-coordinating acetone solvent molecule. Both crystallographically independent Sn cations are five-coordinated by two O and three C atoms in a distorted trigonal-bipyrimidal geometry. One of the Sn cations is bridged by the malonate units, affording polymeric chains which run along [001]. Weak intramolecular C—Hπ interactions stabilize the molecular structure. In the crystal structure, adjacent chains are interconnected by intermolecular O—HO and C—HO hydrogen bonds into a three-dimensional supramolecular structure. A weak intermolecular C—Hπ interaction is also observed.
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).
organic compounds
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The title compound, C13H10BrNO2, crystallizes in a zwitterionic form. The zwitterion exists in a trans configuration about the C=N bond and is almost planar, the dihedral angle between the two benzene rings being 2.29 (9)°. An intramolecular N—HO hydrogen bond formed between the iminium NH+ and the phenolate O− atoms generates an S(6) ring motif. In the crystal, the zwitterions are linked through O—HO hydrogen bonds into chains along [101] and these chains are further connected through C—HBr interactions into a two-dimensional network perpendicular to (101). CC [3.572 (3)–3.592 (3) Å] and CBr [3.5633 (19)–3.7339 (18) Å] short contacts are observed. The crystal studied was a twin with twin law 00, 00, 001 with a domain ratio of 0.09919 (2):0.90081 (2).