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...Methyl 4-amino-3-methylbenzoate- April 23, 2008 In the molecule of the title compound, C9H11NO2, the methyl C and amino N atoms bonded to the benzene ring lie in the ring plane. Intramolecular CH...O hydrogen bonding results in the formation of a five-membered planar ring, which is oriented at a dihedral angle of 2.73(3) with respect to the benzene ring, so they are nearly coplanar. In the crystal structure, intermolecular NH...O hydrogen bonds link the molecules into chains elongated along the c axis and stacked along the b axis.http://scripts.iucr.org/cgi-bin/paper?hk2431 Tris(5-methyl-3-phenyl-1H-pyrazol-1-yl)methane- April 23, 2008 The first crystal structure of a second-generation tris(pyrazolyl)methane, namely the title compound, C31H28N6, is reported. The molecule exhibits a helical conformation with an average twist of 35.1. In addition, there are CH... interactions of 3.202(2) between the pyrazole CH group and neighbouring phenyl groups.http://scripts.iucr.org/cgi-bin/paper?rk2085 3-Hydroxyfriedelan-17-carboxylic acid- April 23, 2008 The title compound, C30H50O3, which was isolated from a marine endophytic fungus, is a new friedelan derivative. The molecule contains five six-membered rings, which exhibit boat (ring A), distorted boat (ring B) and chair (rings CE) conformations. The crystal structure is stabilized by intermolecular OH...O hydrogen bonds, which link neighbouring molecules into 12-membered rings.http://scripts.iucr.org/cgi-bin/paper?xu2405 Hexaaquacadmium(II) bis4-(2-hydroxybenzylideneamino)benzenesulfonate dihydrate- April 23, 2008 In the title compound, Cd(H2O)6(C13H10NO4S)22H2O, the Cd atom (site symmetry overline1) adopts a regular octahedral coordination and the anion is stabilized by an intramolecular OH...N hydrogen bond. OH...O hydrogen bonds involving the coordinated and uncoordinated water molecules lead to a three-dimensional network.http://scripts.iucr.org/cgi-bin/paper?hb2722 Chlorido(chlorodifluoroacetato-O)bis(1,10-phenanthroline-2N,N)manganese(II)- April 23, 2008 The chloride and chlorodifluoroacetate anions occupy cis positions in the octahedral coordination geometry of the title compound, Mn(C2ClF2O2)Cl(C12H8N2)2. The two N-heterocycles both chelate the metal atom.http://scripts.iucr.org/cgi-bin/paper?sg2236 catena-Polybis4-(1H-1,3,7,8-tetraazacyclopentalphenanthren-2-yl)phenol-2N7,N8manganese(II)--naphthalene-1,4-dicarboxylato-2O1:O4 naphthalene-1,4-dicar- April 23, 2008 The 1,4-dicarboxylate dianions in the title compound, Mn(C12H6O4)(C19H12N4O)20.5C12H8O4H2O, bond to two 4-(1H-1,3,7,8-tetraazacyclopentalphenanthren-2-yl)phenol-chelated Mn atoms to form a chain that features the metal atom in an octahedral coordination geometry. Adjacent chains interact with the uncoordinated water molecules to form a three-dimensional network. The naphthalene-1,4-dicarboxylic acid solvent molecule, which is disordered about a centre of inversion, occupies the space within the.http://scripts.iucr.org/cgi-bin/paper?bx2132 catena-Polydiaquabis(1H-indole-3-acetato-O)cobalt(II)--4,4-bipyridine-2N:N tetrahydrate- April 23, 2008 The 4,4-bipyridine spacer in the title compound, Co(C10H8NO2)2(C10H8N2)(H2O)24H2O, links the diaquacobalt(II) dicarboxylate units into a linear chain; the metal atom lies on a center of inversion in an octahedral environment. The coordinated and uncoordinated water molecules interact through OH...O hydrogen bonds to form a three-dimensional network.http://scripts.iucr.org/cgi-bin/paper?sg2234 Dicyclohexylammonium bis(chlorodifluoroacetato-O)cyclopentyldiphenylstannate(IV)- April 23, 2008 The five-coordinate Sn atom in the title mixed organyl stannate compound, (C12H24N)Sn(C5H9)(C6H5)2(C2ClF2O2), is in a trans-C3SnO2 trigonalbipyramidal coordination environment. The NH2 groups of the cations act as hydrogen-bond donors to two symmetry-related anions, resulting in the formation of linear chains. One of the phenyl rings is disordered over two sites with equal occupancies.http://scripts.iucr.org/cgi-bin/paper?lh2611 Tetrakis(thiourea-S)palladium(II) dithiocyanate- April 23, 2008 The title compound, Pd(CH4N2S)4(SCN)2, consists of complex Pd(TU)42+ TU = thiourea, SC(NH2)2 cations and thiocyanate counter-anions. The PdII cation is situated on an inversion centre and exhibits an almost square-planar coordination by the S atoms of the TU ligands. The complex cations are connected through the thiocyanate ions via NH...N 2.922(3)3.056(3) and NH...S 3.369(2)3.645(2) hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?wm2176 Polydi-5-adipato-4O:O:O:O,O-4-adipato-4O:O:O:O-bis2-phenyl-1H-1,3,7,8-tetraazacyclopentalphenanthrene-2N7,N8tricobalt(II)- April 23, 2008 In the title polymer, Co3(C6H8O4)3(C19H12N4)2n, two adipate dianions (C6H8O42) occupy general positions and two are situated on different inversion centres. The two on general positions bind through their four O atoms to five 2-phenyl-1H-1,3,7,8-tetraazacyclopentalphenanthrene-chelated CoII ions, whereas the two on special positions bind to only four. Of the three Co atoms, two are chelated by N-heterocycles; the third is bonded to six O atoms. The bonding mode of the dianion gives rise to a...http://scripts.iucr.org/cgi-bin/paper?bh2161 |