Acta Crystallographica Section EStructure Reports Online was launched in January 2001 as the IUCr's first electronic-only journal. It is a rapid communication journal for the publication of concise reports on inorganic, metal-organic and organic structures, and benefits from an enhanced electronic publication procedure. Each published report includes a set of key indicators, giving a summary of the main descriptors of the precision and completeness of the study, with indications of problems such as disorder. The publication...Bis(pyridine-N)bis(triphenylphosphine-P)copper(I) tetrafluoridoborate- April 2, 2008 The title compound, Cu(C5H5N)2(C18H15P)2BF4, crystallizes as discrete (PPh3)2(py)2Cu+ cations and BF4 anions and is isostructural with the analogous perchlorate salt. The anion is located in close proximity to the pyridine ligands with weak CH...F interactions apparent. The P2CuN2 coordination geometry is pseudo-tetrahedral, with PCuP and NCuN angles of 116.02(6) and 101.5(2), respectively.http://scripts.iucr.org/cgi-bin/paper?ng2437 2,4-Bis(4-chlorobenzoyl)-1-(4-chlorophenyl)-3,5-di-2-thienylcyclohexanol methanol hemisolvate- April 2, 2008 The title compound, C34H25Cl3O3S20.5CH3OH, was synthesized by the reaction of thiophene-2-carbaldehyde with acetophenone and NaOH under solvent-free conditions, using tetrabutylammonium bromide as a phase-transfer catalyst. The central six-membered ring adopts a chair conformation with the bulky thiophene, 4-chlorophenyl and 4-chlorobenzoyl substituents in equatorial positions. The hydroxyl group is in an axial position and forms an intramolecular OH...O hydrogen bond to the carbonyl group of...http://scripts.iucr.org/cgi-bin/paper?bi2281 Three-dimensional hydrogen-bonded supramolecular assembly in tetrakis(1,3,5-triaza-7-phosphaadamantane)copper(I) chloride hexahydrate- April 2, 2008 The structure of the title compound, Cu(PTA)4Cl6H2O (PTA is 1,3,5-triaza-7-phosphaadamantane, C6H12N3P), is composed of discrete monomeric Cu(PTA)4+ cations, chloride anions and uncoordinated water molecules. The CuI atom exhibits tetrahedral coordination geometry, involving four symmetry-equivalent Pbound PTA ligands. The structure is extended to a regular three-dimensional supramolecular framework via numerous equivalent OH...N hydrogen bonds between all solvent water molecules (six per...http://scripts.iucr.org/cgi-bin/paper?dn2329 (3S,4S)-3-Ethyl-4-hydroxy-3-(3-methoxyphenyl)-1-methylazepan-1-ium d-tartrate dihydrate- April 2, 2008 In the title compound, C16H26NO2+C4H5O62H2O, a meptazinol derivative, three C atoms of the azepane ring are disordered over two positions, with site-occupancy factors of 0.80 and 0.20; the major disorder component adopts a twist-chair conformation, while the minor component has a chair conformation. The benzene ring is axially substituted on the heterocyclic ring, resulting in a folded conformation of the cation. The absolute configuration was determined with reference to d-tartaric acid. The...http://scripts.iucr.org/cgi-bin/paper?wn2243 2,5,7-Trimethyl-3-phenylsulfonyl-1-benzofuran- April 2, 2008 The title compound, C17H16O3S, was prepared by the oxidation of 2,5,7-trimethyl-3-phenylsulfanyl-1-benzofuran with 3-chloroperoxybenzoic acid. The phenyl ring exhibits a dihedral angle of 81.16(4) with the plane of the benzofuran fragment. The crystal structure is stabilized by interactions between the furan and benzene rings of neighbouring molecules centroidcentroid distance = 3.874(2) and by CH... interactions between a phenyl H atom of the phenylsulfonyl substituent and the furan ring of...http://scripts.iucr.org/cgi-bin/paper?zl2106 Ethyl 4-amino-3-methylbenzoate- April 2, 2008 The asymmetric unit of the title compound, C10H13NO2, contains two molecules which are linked via an NH...N hydrogen bonds to form a dimer. These dimers are further linked via NH...O intermolecular hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?er2050 5-Bromo-2-methyl-3-phenylsulfonyl-1-benzofuran- April 2, 2008 The title compound, C15H11BrO3S, was prepared by the oxidation of 5-bromo-2-methyl-3-phenylsulfanyl-1-benzofuran with 3-chloroperoxybenzoic acid. The phenyl ring makes a dihedral angle of 78.99(8) with the plane of the benzofuran fragment. The crystal structure is stabilized by CH... interactions between a benzene H atom of the benzofuran unit and the phenyl ring of the phenylsulfonyl substituent from a neighbouring molecule. In addition, the crystal structure exhibits intra- and intermolecular.http://scripts.iucr.org/cgi-bin/paper?cf2191 Polydiaqua-2-oxalato-di-2-pyrimidine-2-carboxylato-dimanganese(II)- April 2, 2008 In the title compound, Mn2(C2O4)(C5H3N2O2)2(H2O)2n, the MnII atom exhibits a distorted octahedral coordination geometry, with the centrosymmetric oxalate anion and the monoanionic pyrimidine-2-carboxylate ligands generating a two-dimensional honeycomb network with a (6,3)-topology.http://scripts.iucr.org/cgi-bin/paper?su2042 2,2-(Iminodimethylene)dibenzimidazolium bis(perchlorate) methanol solvate- April 2, 2008 In the title compound, C16H17N52+2ClO4CH3OH, the dihedral angle between the two benzimidazolium ring systems is 34.6(1). The anions and solvent molecules are linked to the cation by NH...O hydrogen bonds. In the crystal structure, the combination of NH...O and OH...O hydrogen bonds results in two-dimensional layers running parallel to the (010) plane; these are in turn linked by interactions, forming a three-dimensional network.http://scripts.iucr.org/cgi-bin/paper?wn2246 2,4-Dichloro-N-cyclohexylbenzamide- April 2, 2008 In the title molecule, C13H15Cl2NO, the cyclohexane ring adopts a chair conformation. The aromatic ring plane is oriented with respect to the NOC plane at a dihedral angle of 51.88(7). In the crystal structure, intermolecular NH...O hydrogen bonds link the molecules into infinite chains along the 010 direction.http://scripts.iucr.org/cgi-bin/paper?hk2439 |