metal-organic compounds
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The binuclear title compound, [Au2Fe(C9H10NOS)2(C17H14P)2]·CH2Cl2, which has the Fe atom located on a crystallographic centre of inversion, crystallizes as a 1:1 dichloromethane solvate, which is disordered about a centre of inversion. There is a small deviation from linearity defined by the SP donor set [S1—Au—P1 angle is 175.35 (5) °] which is due to an intramolecular AuO contact [3.080 (5) Å]. The primary intermolecular contacts between binuclear molecules are of the type C—Hπ, and are arranged so as to form columns in the a-axis direction in which the disordered solvent molecules reside.
metal-organic compounds
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The AuI atom in the title compound, [Au(C6H12NOS)(C18H33P)], is coordinated within a S,P-donor set that defines a slightly distorted linear geometry [S—Au—P angle = 173.44 (5)°], with the distortion due in part to a close intramolecular AuO contact [3.023 (4) Å]. The N-bound isopropyl group is disordered over two orientations in a 0.618 (15):0.382 (15) ratio.
metal-organic compounds
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Each gold atom in the binuclear title compound, [Au2(C9H9N2O3S)2(C25H22P2)], is coordinated within an S,P-donor set that defines a slightly distorted linear geometry [S—Au—P angles = 172.77 (6) and 173.84 (6)°], with the distortion due in part to a close intramolecular AuO contact [2.968 (11) and 2.963 (4) Å]. The molecule adopts a U-shaped conformation allowing for the formation of an aurophilic AuAu interaction [3.2320 (5) Å]. Molecules are consolidated in the crystal structure by C—Hπ interactions. Disorder was noted for one of the ethoxy groups with two orientations being resolved in a 0.679 (16):0.321 (16) ratio.
metal-organic compounds
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The Au atom in the title compound, [Au(C8H7ClNOS)(C18H15P)], exists within a slightly distorted linear geometry defined by an S,P-donor set [S—Au—P angle = 174.61 (4)°], with the distortion related to a short intramolecular AuO contact [2.988 (3) Å]. In the crystal structure, molecules are arranged into supramolecular chains along the b axis by C—Hπ interactions.
metal-organic compounds
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The AuI atom in the title compound, [Au(C9H9ClNOS)(C18H15P)]·0.5CH2Cl2, exists within a slightly distorted linear geometry defined by an S,P donor set [S—Au—P angle = 178.01 (4)°]; a close intramolecular AuO contact [2.964 (4) Å] also occurs. In the crystal structure, molecules are linked into supramolecular chains propagating along [010] by C—HN, C—HS and C—Hπ interactions. The solvent molecule is disordered about a twofold rotation axis.
metal-organic compounds
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In the title 2:1 adduct, [Sn2W2(C10H13NO2)2(CO)10]2[W(CO)6], the complete hexacarbonyltungsten molecule is generated by a crystallographic inversion centre. The heterometallic molecule features a central Sn2O2 core with essentially equal Sn—Oethoxy bond lengths. The second ethoxy O and amine N atoms of each N,O,O′-tridentate ligand coordinate to one Sn atom only. The NO3 donor atoms occupy basal positions and the W atom the apical position in a distorted square-pyramidal geometry for each Sn atom. The W atoms are approximately syn to each other but the central metal core is non-planar [W—SnSn—W pseudo-torsion angle = 43.573 (16)°]. One of the carbonyl ligands in the heterometallic molecule is disordered over two orientations with equal occupancies. In the crystal, the heterometallic molecules associate via C—HO interactions, forming supramolecular layers with undulating topology in the ab plane. These stack along the c axis, defining voids which are occupied by the W(CO)6 molecules.
organic compounds
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The structure analysis of the title compound, C14H16O2S2, shows the SMe and H atoms of the bond linking the six-membered rings to be syn and also to be syn to the bridgehead –CH2– group. Each of the five-membered rings adopts an envelope conformation at the bridgehead –CH2– group. The dione-substituted ring adopts a folded conformation about the 1,4-CC vector, with the ketone groups lying to one side. The cyclohexene ring adopts a boat conformation.
organic compounds
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In the title compound, C21H16Br2N2, the central pyrazole ring adopts an flattened envelope conformation, with the stereogenic C atom in the flap position. The deviations from planarity for this ring are relatively minor (r.m.s. deviation = 0.045 Å) and the dihedral angles formed with the N- and Cimine-bound benzene rings are 7.73 (13) and 11.00 (13)°, respectively. By contrast, the benzene ring bound at the chiral C atom is almost orthogonal to the rest of the molecule; the dihedral angle formed between this ring and the pyrazole ring is 79.53 (13)°. In the crystal, the packing is stabilized by C—HN and C—HBr interactions.
organic compounds
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In the title compound, C13H18N2O5S, the benzene ring and the acetamide group are almost coplanar [dihedral angle = 5.6 (3)°], and the amine group projects almost vertically from this plane [C—C—S—N = −84.5 (7)°]. A short intramolecular C—HO contact occurs. In the crystal, O—HO, N—HO and N—H(O,O) hydrogen bonds lead to a three-dimensional network. One of the methyl groups of the isopropyl residue is disordered over two orientations in a 0.747 (16):0.253 (16) ratio.
organic compounds
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In the structure of the title compound, C27H39N3O3, each of the (4-oxopiperidin-1-yl)methyl residues adopts a flattened chair conformation (with the N and carbonyl groups being oriented to either side of the central C4 plane) and they occupy positions approximately orthogonal to the central benzene ring [Cbenzene—C—Cmethylene—N torsion angles 103.4 (2), −104.4 (3) and 71.9 (3)°]; further, two of these residues are oriented to one side of the central benzene ring with the third to the other side. In the crystal packing, supramolecular layers in the ab plane are sustained by C—HO interactions.
organic compounds
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The bicyclo[3.3.1]nonane ring in the title compound, C39H44N2O, adopts a chair–boat conformation with the four benzene rings being directed away from the carbonyl group. The presence of C—HO contacts leads to helical supramolecular chains along the b axis.
organic compounds
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The asymmetric unit of the title compound {systematic name: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl p-toluenesulfonate}, C36H54O3S, comprises two independent molecules that differ significantly in terms of the relative orientations of the peripheral groups; the conformation about the C=C bond of the side chain is E. In the crystal, molecules associate into linear supramolecular chains aligned along the a axis via C—HO interactions.
organic compounds
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The title compound, C9H8Br2N2O3, is planar (r.m.s. deviation = 0.030 Å) with the exception of the terminal methyl group which lies out of the plane [1.219 (3) Å]. The conformation about the C=N double bond [1.268 (3) Å] is E. An intramolecular N—HN hydrogen bond occurs. Linear supramolecular chains along the b axis mediated by O—HO hydrogen-bonding interactions feature in the crystal structure. These chains are also stabilized by weak C—HN contacts.
organic compounds
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In the title hydrated salt, C15H11Br2N2+·Cl−·2H2O, the complete imidazolium cation is generated by a crystallographic twofold axis, with one C atom lying on the axis. The chloride ion and both water molecules of crystallization also lie on a crystallographic twofold axis of symmetry. The cation is non-planar, the dihedral angle formed between the central imidazolium and benzene rings being 12.9 (3)°; the dihedral angle between the symmetry-related benzene rings is 25.60 (13)°. In the crystal, O—HCl hydrogen bonds result in supramolecular chains along c mediated by eight-membered {HOHCl}2 synthons. These are consolidated by C—HO and π–π [centroid–centroid distance = 3.687 (3) Å] interactions.
organic compounds
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The title molecule, C12H11N3O4, is essentially planar, the r.m.s. deviation for all non-H atoms being 0.068 Å. An intramolecular C—HN hydrogen bond occurs. The crystal packing is dominated by π–π interactions [shortest centroid–centroid distance = 3.6312 (16) Å], which lead to supramolecular chains that are linked into a three-dimensional network via C—HO contacts. The crystal was found to be a non-merohedral twin (twin law −1 0 0/0 −1 0/ 0.784 0 1), the fractional contribution of the minor component being approximately 22%.