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...1-Allyl-3,3-diphenylindolin-2-one- April 16, 2008 In the title compound, C23H19NO, the oxindole residue is essentially planar and is almost perpendicular to the phenyl rings dihedral angles = 72.1(6) and 77.6(6). The molecular packing is stabilized by CH...O hydrogen bonds and CH...N interactions.http://scripts.iucr.org/cgi-bin/paper?gw2038 1-(4-Methoxyphenyl)-7-phenyl-3-(phenylselenylmethyl)perhydroisoxazolo2,3:1,2pyrrolo3,4-bazetidine-6-spiro-2-chroman-2,4-dione- April 16, 2008 In the title compound, C35H30N2O5Se, the pyrrolidine ring adopts an envelope conformation and the oxazolidine ring is in a twist conformation. The tetrahydropyran ring adopts a half-chair conformation. The methoxyphenyl ring is twisted away from the attached azetidinone ring by 15.7(1). In the crystal structure, intermolecular CH...O interactions link the molecules into a two-dimensional network.http://scripts.iucr.org/cgi-bin/paper?ci2571 3-Phenyl-1,5-di-2-thienylpentane-1,5-dione- April 16, 2008 The asymmetric unit of the title compound, C19H16O2S2, contains two independent molecules with slightly different conformations. In the crystal structure, weak intermolecular CH...O hydrogen bonds C...O = 3.279(15) and 3.407(16) link the molecules into chains extended along the c axis.http://scripts.iucr.org/cgi-bin/paper?cv2395 Methyl 9H-xanthene-9-carboxylate- April 16, 2008 The title compound, C15H12O3, was obtained unintentionally as the by-product of an attempted recrystallization from methanol of propantheline bromide, an antimuscarinic drug. The xanthone unit is folded, with a dihedral angle of 24.81(9) between the benzene rings. The ester substituent adopts a trans staggered conformation, with a CCOC torsion angle of 178.4(1). The molecules pack in distinct layers, facilitated by CH... and weak ring interactions. A weak CH...O interaction also occurs;...http://scripts.iucr.org/cgi-bin/paper?wn2242 1-(4-Isopropylphenyl)-5-(4-methoxyphenyl)pyrazolidin-3-one- April 16, 2008 In the molecule of the title compound, C19H22N2O2, the pyrazolidinone ring has an envelope conformation, with the C atom attached to the 4-methoxyphenyl ring displaced by 0.354(3) from the plane of the other ring atoms. The 4-isopropylphenyl ring is oriented with respect to the 4-methoxyphenyl ring at a dihedral angle of 88.94(3). Intramolecular CH...N hydrogen bonds result in the formation of two planar five-membered rings, which are oriented with respect to the adjacent 4-isopropylphenyl and..http://scripts.iucr.org/cgi-bin/paper?hk2451 Dimethyl 2,2-bis(2-cyanoethyl)malonate- April 16, 2008 The asymmetric unit of the title compound, C11H14N2O4, contains one half-molecule; a twofold rotation axis passes through the central C atom. Intermolecular CH...N hydrogen bonds link the molecules into a one-dimensional supramolecular structure.http://scripts.iucr.org/cgi-bin/paper?rk2080 3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid- April 16, 2008 In the title compound, C17H12O4, the chromene unit is approximately planar, the maximum deviation from the mean plane being 0.0166. The attached phenyl ring makes a dihedral angle of 53.2(1) with the fused ring system. The packing of the molecules in the crystal structure is governed by CH...O and OH...O hydrogen-bonding interactions.http://scripts.iucr.org/cgi-bin/paper?at2554 1-3,5-Bis(trifluoromethyl)phenyl-3-(2-pyridyl)thiourea- April 16, 2008 The title compound, C14H9F6N3S, exhibits a nearly planar conformation in the solid state, with a dihedral angle between the planes of the benzene and pyridine rings of 14.86(3). The pyridine N atom allows for the formation of a six-membered NH...Npy hydrogen-bonded ring, thus forcing the two amide H atoms of the thiourea group to point in opposite directions. The second NH group forms an intermolecular NH...S hydrogen bond with the S atom of an adjacent molecule. The F atoms of the two...http://scripts.iucr.org/cgi-bin/paper?zl2103 Methyl 3-oxo-2,3-dihydro-1,2-benzothiazole-2-acetate 1,1-dioxide- April 16, 2008 The title molecule, C10H9NO5S, is composed of two essentially planar units with a dihedral angle of 89.16(6) between them. In the crystal structure, there are weak intermolecular CH...O interactions resulting in dimeric pairs of molecules about inversion centres and chains of molecules extended along the a and c axes, thus stabilizing the structure. In addition, benzothiazole rings lying parallel to each other with centroidcentroid distances of 3.679(2) and 3.999(2) indicate the existence of ...http://scripts.iucr.org/cgi-bin/paper?lh2607 2,5-Dimethyl-3-phenylsulfonyl-1-benzofuran- April 16, 2008 The title compound, C16H14O3S, was prepared by the oxidation of 2,5-dimethyl-3-phenylsulfanyl-1-benzofuran with 3-chloroperoxybenzoic acid. The phenyl ring makes a dihedral angle of 76.98(9) with the plane of the benzofuran fragment. The crystal structure is stabilized by interactions between furan and benzene rings of neighbouring molecules centroidcentroid distance = 3.775(4). In addition, the crystal structure exhibits intra- and intermolecular CH...O interactions.http://scripts.iucr.org/cgi-bin/paper?sj2482 |