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...5,6-Dichloro-2-(3-methoxyphenyl)isoindoline-1,3-dione- April 23, 2008 The title compound, C15H9Cl2NO3, crystallizes as an inversion twin, the ratio of the twin components being 0.43(13):0.57(13). The isoindoline group is planar and inclined by 77.63(3) to the aromatic ring substituent. The crystal structure is stabilized by aromatic stacking interactions involving the benzene rings of adjacent isoindoline groups, with a centroidcentroid distance of 3.664(7) and an interplanar separation of 3.409.http://scripts.iucr.org/cgi-bin/paper?rz2205 N-(2,4-Dinitrophenyl)dehydroabietylamine- April 23, 2008 In the crystal structure of the title compound, C26H33N3O4, there are two crystallographically independent molecules. The two cyclohexane rings are trans-fused; the ring neighboring the phenyl group is in a half-chair conformation and the other is in a chair conformation. The two nitro groups and the benzene ring of the dinitrophenyl group are almost coplanar. Intramolecular NH...O hydrogen bonds and weak intermolecular CH...O hydrogen bonds are observed.http://scripts.iucr.org/cgi-bin/paper?is2284 1-Allyl-3,3-di-p-tolylindolin-2-one- April 23, 2008 In the title compound, C25H23NO, the indoline system is essentially planar. The molecular structure is stabilized by weak intramolecular CH...N interactions and the crystal packing is determined by intermolecular CH... interactions.http://scripts.iucr.org/cgi-bin/paper?gw2036 (S)-2-Methylpiperazinediium dichloride 0.42-hydrate- April 23, 2008 The cations and anions of the chiral title compound, C5H14N22+2Cl0.42H2O, are linked by NH...Cl hydrogen bonds into chains propagating in 100, which contain R42(14) loops.http://scripts.iucr.org/cgi-bin/paper?ng2428 5,6-Dichloro-2-(2-fluorophenyl)isoindoline-1,3-dione- April 23, 2008 The crystal structure of the title compound, C14H6Cl2FNO2, exhibits CH... and interactions, which generate C(3) chains in the 100 direction. The interaction occurs between the aromatic rings of isoindoline units, with a centroidcentroid distance of 3.672 and an interplanar separation of 3.528. The isoindoline unit is planar and inclined at an angle of 58.63(18) to the substituent benzene ring. The F atom is disordered over two positions, with refined occupancies of 0.669(3) and 0.331(3).http://scripts.iucr.org/cgi-bin/paper?bt2693 N-Benzyl-2-hydroxybenzamide- April 23, 2008 In the title compound, C14H13NO2, the mean planes through the benzyl and 2-hydoxybenzamide units make a dihedral angle of 68.81(7). There is an intramolecular OH...O hydrogen bond involving the carbonyl O atom and the 2-hydroxy substituent. In the crystal structure, NH...O hydrogen bonds link symmetry-related molecules into one-dimensional chains extending along the a-axis direction. These chains are further connected via CH...O hydrogen bonds, forming a sheet-like structurehttp://scripts.iucr.org/cgi-bin/paper?su2048 Ethyl 4-hydroxymethyl-2-methylpyridine-5-carboxylate- April 23, 2008 The title compound, C10H13NO3, was obtained as a by-product of the aldolization reaction of furo3,4-cpyridin-3(1H)-one with thiophene-2-carboxaldehyde. The substituents on the pyridine ring are nearly coplanar, with an 8.1(2) rotation of the hydroxmethyl group from this plane. The molecules assemble in the crystal structure as chains via OH...N hydrogen bonding between the pyridine N atom and a neighbouring hydroxymethyl OH group.http://scripts.iucr.org/cgi-bin/paper?bt2697 1,4,8,11-Tetrakis(carboxymethyl)-5,5,7,12,12,14-hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane dichloride dihydrate- April 23, 2008 The title compound, C24H46N4O82+2Cl2H2O, was synthesized by the hydrolysis of tetraethyl 2,2,2,2-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetrayl) tetraacetate in hydrochloric acid solution. The crystal structure of the title compound consists of a 14-membered C10N4 centrosymmetric cationic macrocycle which interacts with the chloride ions and water molecules of crystallization to give a three-dimensional hydrogen-bonded network.http://scripts.iucr.org/cgi-bin/paper?wn2251 Ethyl 1-(4-methoxyphenyl)-2-nitro-3-4-oxo-3-phenyl-1-(4-methoxyphenyl)azetidin-2-yl-2,3,10,10a-tetrahydro-1H,5H-pyrrolo1,2-bisoquinoline-10a-carboxyla- April 23, 2008 In the molecule of the title compound, C38H37N3O7, the pyrrolidine ring adopts a twist conformation and the six-membered heterocyclic ring has a boat conformation. In the crystal structure, molecules are linked into a three-dimensional framework through intermolecular CH...O hydrogen bonds. One ethyl group is disordered over two positions with occupancies 0.67(2)0.33(2).http://scripts.iucr.org/cgi-bin/paper?bt2696 Bromotriphenylsilane- April 23, 2008 The title compound, C18H15BrSi, crystallizes with two almost identical molecules (r.m.s. deviation for all non-H atoms = 0.074) in the asymmetric unit. It is isomorphous with chlorotriphenylsilane.http://scripts.iucr.org/cgi-bin/paper?pv2078 |