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...(2S,4aR,3S,8aR,9R,10R)-1,4-Diallyl-2,3-diphenylperhydroquinoxaline- April 26, 2008 In the title compound, C26H32N2, the cyclohexane and piperazine rings each adopt a chair conformation. Both phenyl rings and the two propen-3-yl residues are in equatorial positions. There are no CH...N hydrogen bonds nor interactions between the aromatic rings. The absolute configuration was assigned with reference to the starting material.http://scripts.iucr.org/cgi-bin/paper?bt2698 N-(5-Fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene)benzenesulfonohydrazide- April 26, 2008 The molecule of the title compound, C14H10FN3O3S, consists of an indole unit and a phenylsulfonyl unit that are disposed in an approximately trans orientation relative to the NN single bond. Two molecules are arranged about a center of inversion, forming a hydrazidecarbonyl NH...O hydrogen-bonded dimer; the dimers are linked by an indolesulfonyl NH...O hydrogen bond into a ribbon.http://scripts.iucr.org/cgi-bin/paper?sg2224 2-(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)(4-chlorophenyl)methylmalononitrile- April 26, 2008 In the crystal structure of the title compound, C20H16ClN5, the dihedral angle between the pyrazole ring and the phenyl ring is 54.7(1) and that between the pyrazole ring and the chloro-substituted phenyl ring is 72.4(1). The methyl H atoms are disordered over two positions with site occupancy factors of ca 0.7 and 0.3. One amino H is disordered equally over two positions. In the crystal structure, the molecules are linked via intermolecular NH...N hydrogen bonding.http://scripts.iucr.org/cgi-bin/paper?nc2101 2-Amino-4-(4-chlorophenyl)-6-ferrocenylpyridine-3-carbonitrile- April 26, 2008 In the molecule of the title compound, Fe(C5H5)(C17H11ClN3), the dihedral angles between the two fivemembered rings and between the two six-membered rings are 3.28(4) and 51.33(4), respectively. In the crystal structure, intermolecular NH...N hydrogen bonds link the molecules into centrosymmetric dimers.http://scripts.iucr.org/cgi-bin/paper?hk2443 Low-temperature redetermination of 3,4,5,6-tetrahydropyrimidin-2(1H)-one- April 26, 2008 The low-temperature structure of the title compound, C4H8N2O, is ordered, whereas the central methylene groups is disordered in the reported room-temperature structure. The molecule lies across a mirror plane; adjacent molecules are linked by an NH...O hydrogen bond into a chain.http://scripts.iucr.org/cgi-bin/paper?bv2094 N,N-Bis(4-chlorophenyl)urea- April 26, 2008 The carbonyl unit of the title compound, C13H10Cl2N2O, lies on a twofold rotation axis. The ring is aligned at 51.6(1) with respect to the NC(=O)N fragment. The two NH fragments of one molecule form hydrogen bonds 2.845(2) to the C=O fragment of an adjacent molecule, giving rise to the formation of a linear hydrogen-bonded chain.http://scripts.iucr.org/cgi-bin/paper?tk2256 4-Hydroxy-3-nitrobenzaldehyde- April 26, 2008 The hydroxyl group in each of the two independent molecules of the title compound, C7H5NO4, participates in two OH...O hydrogen bonds, viz. one intramolecular bond to the nitro group and one intermolecular bond to the aldehyde group of the same molecule in the next unit, resulting in a linear chain structure. The dihedral angle between the aromatic ring and the nitro group is 10.9(3) in one molecule and 9.9(2) in the other.http://scripts.iucr.org/cgi-bin/paper?fl2191 N-(2-Phenylimidazo1,2-apyridin-3-yl)acetamide- April 26, 2008 The crystal structure of the title compound, C15H13N3O, consists of columns of molecules that are interconnected by NH...N hydrogen bonds in the direction of the b axis. The torsion angle between the imidazo1,2-apyridine ring system and the phenyl ring is 9.04(5).http://scripts.iucr.org/cgi-bin/paper?fj2112 3,5-Dichlorosalicylaldehyde- April 26, 2008 The title compound (systematic name: 3,5-dichloro-2-hydroxybenzaldehyde), C7H4Cl2O2, crystallizes as discrete molecules, the conformation of which may be influenced by an intramolecular hydroxycarbonyl OH...O hydrogen bond.http://scripts.iucr.org/cgi-bin/paper?lh2606 2,10-Dibromo-6-isobutyl-6-methyldibenzod,f1,3dioxepine- April 26, 2008 In the crystal structure of the title compound, C18H18Br2O2, the two benzene rings of the bridged biphenyl unit are twisted by 38.0(1).http://scripts.iucr.org/cgi-bin/paper?nc2099 |