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...l-2-Nitrimino-1,3-diazepane-4-carboxylic acid- April 30, 2008 The cyclic form of l-nitroarginine, C6H10N4O4, crystallizes with two independent molecules in the asymmetric unit. According to the geometrical parameters, similar in both molecules, the structure corresponds to that of l-2-nitrimino-1,3-diazepane-4-carboxylic acid; there are, however, conformational differences between the independent molecules, one of them being close to a twisted chair while the other might be described as a rather flattened boat. All six active H atoms in the two molecules..http://scripts.iucr.org/cgi-bin/paper?bg2177 3-Chloro-N-(3-chlorophenyl)benzamide- April 30, 2008 In the crystal structure of the title compound, C13H9Cl2NO, the NH and C=O bonds are anti to each other in the two independent molecules. In one molecule, the NH bond is syn to the meta-chloro group of the attached ring; it is anti in the other molecule. This relationship is also observed between the C=O bond and the meta-chloro substituent of its attached ring. The amide NHCO group makes dihedral angles of 31.5(4) and 34.7(3) with the aniline rings; it makes dihedral angles of 37.4(3) and...http://scripts.iucr.org/cgi-bin/paper?ng2449 4-(9-Anthryl)-1-(4-methoxyphenyl)spiroazetidin-3,9-xanthen-2-one- April 26, 2008 In the title molecule, C36H25NO3, the -lactam ring is essentially planar, with a dihedral angle of 3.3(2) between the two separate three-atom NCC planes. The -lactam ring makes dihedral angles of 28.45(14), 87.4(1) and 51.8(1) with the mean planes of the benzene, xanthene and anthracene ring systems, respectively. In addition to a weak intramolecular CH...N hydrogen bond, the crystal structure is stabilized by two weak intermolecular CH...O hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?lh2616 Ethyl 6-methyl-4-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-3-yl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate- April 26, 2008 A new Biginelli compound, C18H25BN2O4S2, containing a boronate ester group was synthesized from a lithium bromide-catalysed reaction. The compound crystallizes with two independent molecules in the asymmetric unit that differ mainly in the conformation of the ester functionality. The crystal structure is stabilized by intermolecular NH...O and NH...S hydrogen bonds involving the 3,4-dihydropyrimidine-2(1H)-thione NH groups as donors and the carbonyl O and thiophene S atoms as acceptors.http://scripts.iucr.org/cgi-bin/paper?gk2133 N-1-(2-Hydroxyphenyl)ethylidenebenzenesulfonohydrazide- April 26, 2008 In the title compound, C14H14N2O3S, the conformation is stabilized by an intramoleclar OH...N hydrogen bond and the dihedral angle between the aromatic ring planes is 79.55(18). In the crystal structure, intermolecular NH...O hydrogen bonds lead to 100 chains of molecules.http://scripts.iucr.org/cgi-bin/paper?hb2723 2-Phenylimidazo1,2-apyridine-3-carbaldehyde- April 26, 2008 In the title compound, C14H10N2O, the dihedral angle between the imidazo1,2-apyridine and phenyl rings is 28.61(4) The molecules are connected into broad chains parallel to the a axis by weak CH...O and CH...N hydrogen bonds. The linking of the ribbons is provided by stacking interactions between neighbouring pyridine rings, with a centroidcentroid distance of 3.7187(7).http://scripts.iucr.org/cgi-bin/paper?bg2180 2,2-(1,1-Azinodiethylidyne)diphenol- April 26, 2008 In the title molecule, C16H16N2O2, the CN bond lengths are 1.295(5) and 1.300(5), which suggests that they are double bonds. The structure is stabilized by intramolecular OH...N and CH...N, and intermolecular CH...O hydrogen-bond interactions.http://scripts.iucr.org/cgi-bin/paper?at2562 4-Fluoro-2-hydroxyacetophenone- April 26, 2008 The title compound, C8H7FO2, 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?lh2605 3-(3-Chloropropyl)-7,8-dimethoxy-1H-3-benzazepin-2(3H)-one at 125K- April 26, 2008 In the title compound, C15H18ClNO3, the seven-membered ring has a mirror plane passing through the methylene C atom and bisecting the C=C bond. It adopts a bent conformation, intermediate between the boat and chair forms. Both methoxy groups are coplanar with the attached benzene ring CCOC = 0.5(3) and 2.2(3). In the crystal structure, inversion-related molecules are linked via CH...O hydrogen bonds and interactions involving the benzene ring centroidcentroid distance = 3.6393(12).http://scripts.iucr.org/cgi-bin/paper?ci2582 Diethyl 5-(2-hydroxy-1-naphthyl)methylideneamino-3-methylthiophene-2,4-dicarboxylate- April 26, 2008 In the title compound, C22H21NO5S, the 2-naphthol group and the thiophene ring are almost coplanar, with a dihedral angle of 5.75(7). The structure is stabilized by intramolecular OH...O, OH...N and CH...S, and intermolecular CH...O hydrogen-bonding interactions.http://scripts.iucr.org/cgi-bin/paper?sj2483 |