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...3,5-Dibromo-2-hydroxybenzaldehyde- April 4, 2008 The title compound, C7H4Br2O2, exhibits a layer packing structure via weak stacking interactions centroidcentroid distances between adjacent aromatic rings are 4.040(8) and 3.776(7). Molecules in each layer are linked by intermolecular OH...O hydrogen bonding and Br...Br interactions 3.772(4). There are two molecules in the asymmetric unit.http://scripts.iucr.org/cgi-bin/paper?at2547 (1-Acetyl-2,6-diphenylpiperidin-4-ylidene)(phenyl)acetonitrile- April 4, 2008 In the title molecule, C27H24N2O, the piperidine ring adopts a boat conformation. The acetyl group at position 1 has a bisectional orientation. The two phenyl rings attached to the piperidine ring at positions 2 and 6 have bisectional and axial orientations, respectively, and make a dihedral angle of 75.27(10). The phenylacetonitrile group at position 4 has an equatorial orientation. Molecules are linked by CH...N, CH...O intermolecular and CH... interactions. A CH...O intramolecular...http://scripts.iucr.org/cgi-bin/paper?wn2248 A charge-transfer salt, 3,5-dimethyl-1-(4-nitrobenzyl)pyridinium 7,7,8,8-tetracyanoquinodimethane- April 4, 2008 In the title salt, C14H15N2O2+C12H4N4, the asymmetric unit contains one cation and one anion. CH...N and CH...N and CH...O hydrogen bonds and stacking interactions (interplanar distance 3.845) are found in the crystal structure.http://scripts.iucr.org/cgi-bin/paper?cf2189 3-(3-Chloropropyl)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-2-one at 125 K- April 4, 2008 In the title compound, C15H20ClNO3, the seven-membered ring adopts a distorted boatsofa conformation; the methylene C atoms of this ring are coplanar with the benzene ring. Both methoxy groups are almost coplanar with the attached benzene ring CCOC = 6.5(2) and 13.5(3). An intramolecular CH...O hydrogen bond is observed in the molecular structure. In the crystal structure, a CH... interaction involving the benzene ring is observed.http://scripts.iucr.org/cgi-bin/paper?ci2575 (3S,4R)-4-(4-Fluorophenyl)-3-(hydroxymethyl)piperidinium chlorideDRL publication number: 693.- April 4, 2008 The title compound, C12H17FNO+Cl, is a degradation impurity of paroxetine hydrochloride hemihydrate (PAXIL), an antidepressant belonging to the group of drugs called selective serotonin reuptake inhibitors (SSRIs). Similar to the paroxetine hydrochloride salt with protonation having taken place on the basic piperidine ring, the degradation impurity also exists as the hydrochloride salt. The cyclic six-membered piperidinium ring adopts a chair conformation with the hydroxymethyl and...http://scripts.iucr.org/cgi-bin/paper?tk2259 5-Chloro-2-methoxyanilinium nitrate- April 4, 2008 The title salt, C7H9ClNO+NO3, exhibits extensive hydrogen bonding between the ammonium functional group and the nitrate anion. A two-dimensional network of bifurcated NH...O hydrogen bonds generates corrugated layers in the bc plane. The organic molecules are stacked in a parallel orientation as a result of interactions, with an inter-ring distance of 3.837.http://scripts.iucr.org/cgi-bin/paper?fj2102 2-n-Butyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide- April 4, 2008 The crystal packing of the title compound, C11H13NO3S, exhibits weak intermolecular CH...O hydrogen bonding, which links molecules related by translation along the b axis into chains, and interactions centroidcentroid distance of 3.778(2) between benzene rings.http://scripts.iucr.org/cgi-bin/paper?cv2391 (Z)-1,3,4a-Trimethyl-5,5-diphenyl-6-oxa-1,3-diazabicyclo4.2.0octane-2,4-dione- April 4, 2008 The title compound, C20H20N2O3, is a head-to-tail oxetane, one of the regioisomers obtained by the the PaternBchi reaction of 1,3-dimethylthymine with benzophenone. The oxetane ring is folded, the dihedral angle between the COC and CCC planes being 14.4(2). The dihedral angle between the two phenyl rings is 64.3(2). The pyrimidine ring adopts a boat conformation. The crystal structure involves weak CH...O hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?wn2239 2-Fluoroanilinium N-(2-fluorophenyl)oxamate- April 4, 2008 The crystal structure of the title salt, C6H7FN+C8H5FNO3, exhibits intramolecular NH...O and CH...O and intermolecular NH...O and NH...F hydrogen-bond interactions, the intramolecular hydrogen-bond interactions generating S(6) and S(5) ring motifs. The dihedral angles between the aromatic ring and the intramolecular hydrogen-bonded rings in the anion are 2.97(7) and 6.70(5). The two aromatic rings of the title compound are oriented with a dihedral angle of 77.25(9).http://scripts.iucr.org/cgi-bin/paper?at2556 1,1-(Butane-1,4-diyl)diimidazole-3,3-diium tetrachloridozincate(II) dihydrate- April 4, 2008 In the title compound, (C10H16N4)ZnCl42H2O, the cation lies abouton a center of inversion and the anion about a twofold rotation axis. The ZnII atom is four-coordinate in a tetrahedral environment. The cations, anions and water molecules are linked by NH...O, NH...Cl and OH...Cl hydrogen bonds into a two-dimensional network.http://scripts.iucr.org/cgi-bin/paper?ng2438 |