Acta Crystallographica Section CActa Crystallographica Section C: Crystal Structure Communications is a rapid communication journal for the publication of concise reports on crystal and molecular structures. The numerical and text descriptions of each structure are submitted to the journal electronically as a Crystallographic Information File (CIF) and are checked and typeset automatically prior to peer review. The published paper contains an encapsulation of the data that are essential to understanding the main features of...Two new types of oxyfluorotellurates(IV): ScTeO3F and InTeO3F- June 21, 2008 In the course of a general study of oxyfluorotellurates(IV), materials likely to exhibit interesting nonlinear optical properties, the crystal structures of the new phases scandium tellurium trioxide fluoride, ScTeO3F, and indium tellurium trioxide fluoride, InTeO3F, belonging to two different structural types and also differing from that of the recently published MTeO3F (M = Fe, Ga and Cr) series, have been determined. The ScTeO3F structure can be described as an intergrowth of two different...http://scripts.iucr.org/cgi-bin/paper?sq3138 10-Ethyl-4-oxo-2,3,4,10-tetrahydropyrimido4,5-bquinolin-2-iminium 4-toluenesulfonate: a polarized electronic structure in the cation and a hydrogen-bo- June 14, 2008 In the title compound, C13H13N4O+C7H7O3S, the bond distances within the cation provide evidence for the delocalization of the positive charge in a manner reminiscent of guanidinium cations. Three independent NH...O hydrogen bonds link the ions into centrosymmetric four-ion aggregates, and these are further linked into sheets by a single CH...O hydrogen bond. This study shows how a single hydrogen bond can link centrosymmetric entities into a continuous sheet structure.http://scripts.iucr.org/cgi-bin/paper?sk3244 Dimethyl 6-1,2-bis(methoxycarbonyl)-2-(triphenyl-5-phosphanylidene)ethylideneamino-2-methylsulfanyl-3,4-pyridinedicarboxylate forms a chain of hydroge- June 14, 2008 In the title compound, C34H31N2O8PS, the intramolecular distances provide evidence for polarization of the molecularelectronic structure. The molecules are linked into complex chains of rings by three independent CH...O hydrogen bonds. The significance of this study lies in its finding that two of the four carbonyl O atoms play no role in the hydrogen bonding, despite the large excess of potential hydrogen-bond donors present.http://scripts.iucr.org/cgi-bin/paper?sk3237 N-(2-Bromoethyl)-4-piperidino-1,8-naphthalimide and N-(3-bromopropyl)-4-piperidino-1,8-naphthalimide- June 14, 2008 N-(2-Bromoethyl)-4-piperidino-1,8-naphthalimide, C19H19BrN2O2, (I), and N-(3-bromopropyl)-4-piperidino-1,8-naphthalimide, C20H21BrN2O2, (II), are an homologous pair of 1,8-naphthalimide derivatives. The naphthalimide units are planar and each piperidine substituent adopts a chair conformation. This study emphasizes the importance of -stacking interactions, often augmented by other contacts, in determining the crystal structures of 1,8-naphthalimide derivatives.http://scripts.iucr.org/cgi-bin/paper?su3024 (E)-3-Dimethylamino-2-(1H-indol-3-ylcarbonyl)acrylonitrile: a chain of edge-fused rings built from a three-centre NH...(N,O) hydrogen bond- June 14, 2008 In the title compound, C14H13N3O, the intramolecular distances provide evidence for polarization of the molecularelectronic structure. A single three-centre NH...(N,O) hydrogen bond links the molecules into chains of edge-fused R22(16) and R24(12) rings. Comparison with a number of related structures identifies factors of significance controlling the pattern of supramolecular aggregation.http://scripts.iucr.org/cgi-bin/paper?gg3169 4,6-Dimethoxy-2-phthalimidopyrimidine: sheets built from -stacked hydrogen-bonded chains- June 14, 2008 The molecules of the title compound, C14H11N3O4, have approximate but noncrystallographic twofold rotational symmetry. The molecules are linked into chains by a CH...O hydrogen bond, and these chains are linked into sheets by a stacking interaction. The significance of this study lies in its comparison of the modes of supramolecular aggregation in the title compound and those in some close analogues.http://scripts.iucr.org/cgi-bin/paper?hj3078 Hydrogen bonding in 2-(2-oxothiazolidin-3-yl)-4,5-dihydrothiazolium hydrogen sulfate monohydrate- June 14, 2008 The asymmetric unit of the title compound, C6H9N2OS2+HSO4H2O, contains a heterocyclic cation, a hydrogen sulfate anion and a water molecule. There are strong hydrogen bonds between the hydrogen sulfate anions and water molecules, forming an infinite chain along the 010 direction, from which the cations are pendent. The steric, electronic and geometric features are compared with those of similar compounds. In this way, structural relationships are stated in terms of the influence of the sulfate..http://scripts.iucr.org/cgi-bin/paper?gd3216 Conformational dimorphism of the spiropyran 1,3,3-trimethylspiro2H-1-benzopyran-2,2-indoline-6-carbaldehyde)- June 14, 2008 The title compound, C20H19NO2, crystallizes from an acetoneheptane solution as two dimorphs in the space groups C2c and Cc. Each dimorph has two molecules in the asymmetric unit. The four molecules adopt slightly different conformations expressed by the degree of bending around a vector connecting the O and C atoms attached to the bridgehead C atom of the pyran ring. Due to the fact that all four molecules are chemically identical, the difference in bending is attributed to packing forces. This.http://scripts.iucr.org/cgi-bin/paper?sq3147 2-Amino-4-chloro-6-N-methyl-N-(4-methylphenyl)aminopyrimidine: formation versus fragmentation of hydrogen-bonded chains of edge-fused R22(8) rings in- June 14, 2008 Molecules of the title compound, C12H13ClN4, are linked by two independent NH...N hydrogen bonds into a chain of edge-fused R22(8) rings. The significance of this study lies in its attempt to rationalize the patterns of supramolecular aggregation in the title compound and in a range of analogous 4,6-disubstituted 2-aminopyrimidines.http://scripts.iucr.org/cgi-bin/paper?sk3241 The new pentaborate Na3SrB5O10- June 14, 2008 Sodium strontium pentaborate, Na3SrB5O10, maintains the same, previously unobserved, structure type at 200, 250 and 293K. The fundamental building units are anionic B5O105 groups distorted from mm2 point symmetry. The Sr atoms are eightfold coordinated by O atoms, forming trigonal dodecahedra. The Na atoms appear in three crystallographically different environments. The present single-crystal results correct a previous report in which a monoclinic cell was deduced for this compound on the basis.http://scripts.iucr.org/cgi-bin/paper?fa3144 |