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Acta Crystallographica Section E

Structure 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...

Dichloridobis(5-m-tolyl-1,3,4-thiadiazol-2-ylamine-N3)zinc(II) - April 23, 2008

In the molecule of the title compound, ZnCl2(C9H9N3S)2, the ZnII atom is four-coordinated by two N atoms from two 5-m-tolyl-1,3,4-thiadiazol-2-ylamine ligands and two Cl anions in a distorted tetrahedral geometry. Intramolecular NH...N, NH...Cl and CH...S hydrogen bonds result in the formation of one planar and one non-planar five-membered, one non-planar six-membered and one non-planar seven-membered ring. The six- and seven-membered rings have twist conformations, while the non-planar...
http://scripts.iucr.org/cgi-bin/paper?hk2454

Bis(2-amino-6-methylpyridinium) tetrabromidocuprate(II) - April 23, 2008

In the crystal structure of the title compound, (C6H9N2)2CuBr4, the geometry around the Cu atom is intermediate between tetrahedral (Td) and square planar (D4h). Each CuBr42 anion is connected non-symmetrically to four surrounding cations through NH...X (pyridine and amine proton) hydrogen bonds, forming chains of the ladder-type running parallel to the crystallographic b axis. These layers are further connected by means of offset face-to-face interactions (parallel to the a axis), giving a...
http://scripts.iucr.org/cgi-bin/paper?at2561

(-4-Methylbenzenethiolato-2S:S)biscarbonyl(5-cyclopentadienyl)molybdenum(II) - April 23, 2008

The asymmetric unit of the title compound, Mo2(C5H5)2(C7H7S)2(CO)2, consists of two half-molecules, each molecule lying on a centre of symmetry. The thiolate groups function as bridges between the MoII atoms, which adopt a quasi-octahedral geometry. In the octahedral environment the two ligating S atoms are in a cis arrangement.
http://scripts.iucr.org/cgi-bin/paper?ci2579

Trichlorido(N,N-di-tert-butylbenzamidinato-2N,N)silicon - April 18, 2008

In the title molecule, C15H23Cl3N2Si, the Si atom is pentacoordinated by two N atoms SiN = 1.780(3) and 1.931(3) from the benzamidinate ligand and three chloride anions SiCl = 2.0711(14)2.1449(14) in a distorted trigonal-bipyramidal geometry.
http://scripts.iucr.org/cgi-bin/paper?cv2396

(2E)-3-(4-Chlorophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one - April 18, 2008

In the molecule of the title compound, C13H10ClNO, the benzene and pyrrole rings are oriented at a dihedral angle of 7.37(12). In the crystal structure, intermolecular NH...O hydrogen bonds link the molecules into centrosymmetric R22(10) dimers. There are CH... interactions between benzene and pyrrole rings and a benzene CH group. A weak interaction between the pyrrole rings centroidcentroid distance 3.8515(11) further stabilizes the structure. There is also a interaction between the pyrrole..
http://scripts.iucr.org/cgi-bin/paper?hk2452

(7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,-9,10,10a-octahydrophenanthren-1-yl)methanaminium 4-toluenesulfonate - April 18, 2008

In the title compound, C20H32N+C7H7O3S, the configurations of the two chiral centers observed in the protonated cation are consistent with previous reports. In the crystal structure, weak intermolecular NH...O hydrogen bonds link ions into chains which develop along the a axis. The isopropyl group and four CH groups of the attached benzene ring are disordered approximately equally over two positions.
http://scripts.iucr.org/cgi-bin/paper?dn2336

2,4-Dinitro-1-naphthyl 4-toluenesulfonate - April 18, 2008

In the title compound, C17H12N2O7S, the dihedral angle between the benzene ring and the naphthyl plane is 26.34(6). The nitro groups make dihedral angles of 40.09(4) and 37.05(3) with the naphthyl plane. In the crystal structure, weak intra- and intermolecular CH...O interactions are observed.
http://scripts.iucr.org/cgi-bin/paper?is2287

3,6-Dichloro-N-(4,6-dichloropyrimidin-2-yl)picolinamide - April 18, 2008

In the title compound, C10H4Cl4N4O, the pyridine and pyrimidine rings are nearly perpendicular to each other, the dihedral angle between them being 86.60(10). In the crystal structure, the N and O atoms in the amide group are involved in intermolecular hydrogen bonds, forming a one-dimensional chain along the c axis.
http://scripts.iucr.org/cgi-bin/paper?is2279

(E)-2-4-(Dimethylamino)styryl-1-methylquinolinium iodide sesquihydrate - April 18, 2008

In the title compound, C20H21N2+.I1.5H2O, the cation exists in the E configuration and is not planar. The dihedral angle between the quinolinium and dimethylaminophenyl rings is 9.26(6). The O atom of one of the solvent water molecules lies on a twofold rotation axis. In the crystal structure, the cations form one-dimensional zigzag chains along the 001 direction. The cations are linked to water molecules and iodide ions through weak CH...O and CH...I interactions, respectively. Water molecules.
http://scripts.iucr.org/cgi-bin/paper?sj2479

Bis4-(dimethylamino)phenyldiazene oxide - April 18, 2008

The asymmetric unit of the title compound, C16H20N4O, contains six independent approximately planar molecules and is best described as a commensurate modulation of a P21c parent. Two sets of disordered molecules share almost the same locations (related by an in-plane translation), ensuring that the c-glide plane condition is not attained. CH...O interactions provide structural cohesion. The site occupancy factors of the disordered molecules are ca 0.720.28 and 0.670.33.
http://scripts.iucr.org/cgi-bin/paper?sj2473
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