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1.
Tadeusz Lis Youssif Ebead Artur Sikorski Karol Krzymiski Jerzy Baejowski 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):o85-o87
The title compounds, C15H13ClN2·H2O, (I), and C19H13NO, (II), form monoclinic crystals. Arranged in a `head‐to‐tail' manner, the molecules of the amine form (I) lie along the b axis in layers that are linked by a network of hydrogen bonds involving the endocyclic N atom, the H atom at the exocyclic N atom and all the atoms of the solvent water molecule. Molecules of (II), with the phenoxy group nearly perpendicular to the acridine moiety, are arranged in pairs related by a center of symmetry and stabilized via two C—H⋯N contacts; the latter are linked via a network of further C—H⋯N contacts and non‐specific dispersive interactions. 相似文献
2.
Jeffrey C. Bryan Michael N. Burnett Richard A. Sachleben 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):e167-e167
The title compound, C9H9Cl3, is being used as a platform for new tripodal receptors. Two molecules make up the asymmetric unit; weak intermolecular hydrogen bonding is observed between methylene H atoms and the chlorine of an adjacent molecule. There are also C—H?π interactions. 相似文献
3.
Alan K. Brisdon Ian R. Crossley Robin G. Pritchard John E. Warren 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):m322-m324
The title compound, [Cr(C6H5Cl)(CO)3], is the first group 6 tricarbonyl η6‐monohaloarene compound to be structurally characterized. It adopts a classic piano‐stool structure, with the Cr(CO)3 tripod assuming a syn‐eclipsed conformation relative to the arene ring (ϕ = 2.0°). The extended structure is dominated by intermolecular π⃛H interactions (H⃛ring centroid = 2.94 Å) and non‐classical hydrogen bonds between carbonyl and arene moieties (O⃛H = 2.50–2.58 Å). 相似文献
4.
Stepan Boitsov Jon Songstad Karl W. Trnroos 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o145-o147
The crystal structure of the title compound, C9H6F3N, at 123 K contains molecules linked together via several C—H?F and C—H?N contacts, the strongest of which are 2.58 and 2.65 Å, respectively. Apparently, an F atom in the CF3 group is able to compete with a cyano N atom for aromatic H atoms but is less prone to interact with the more acidic methylene H atoms. The Ph–CH2CN torsion angle is ?6.4 (2)° and the planar phenyl ring exhibits a typical deformation of the endo angles at the ipso‐C atoms, due to the difference in the electron‐withdrawing power of the CF3 and CH2CN substituents. 相似文献
5.
Serkan Soylu Murat Ta Hümeyra Bat Nezihe alkan Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):o263-o264
The structure of the title compound, C15H12N2O4, consists of a polymeric arrangement, around inversion centres, of molecules linked through O—H⋯N and O—H⋯O hydrogen bonds; there are also intramolecular hydrogen bonds. All these hydrogen‐bond interactions result in the formation of infinite chains parallel to the [010] direction. The oxime group has an E conformation. 相似文献
6.
Claudia Pifferi Renzo Cini 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):e439-e440
The potentially cytostatic title compound, mer‐[RuCl3(C3H3NS)3], is the first RuIII–thz (thz is 1,3‐thiazole) complex characterized via X‐ray diffraction and consists of discrete complex molecules with an octahedral coordination sphere in which the metal centre is linked to three chloride ions and to three thz ligands through the N atoms. The Ru—Cl and Ru—N bond distances average 2.3462 (6) and 2.0851 (19) Å, respectively. 相似文献
7.
Cal Y. Meyers Hisham G. Lutfi Yuqing Hou Paul D. Robinson 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):580-581
Treatment of 9‐fluorenyllithium with acetyl chloride produces 9‐acetylfluorene, (I), and several by‐products. Among them is a compound unequivocally identified for the first time as the addition product of (I) with 9‐fluorenyllithium, 1,1‐di(9‐fluorenyl)ethanol, C28H22O, (II). The two fluorene‐ring planes of (II) are essentially perpendicular [89.90 (9)°]. A number of intermolecular non‐bonding distances are well within or close to the sum of their respective van der Waals radii and may be responsible for the rarely observed large bowing of one of the fluorene rings. This bowing apparently arises from two molecules impinging on the convex face of the bowed ring, augmented by hydrogen bonding between the peripheral π electrons of the concave face and the hydroxyl H atom of another molecule adjacent to that face. 相似文献
8.
Ivn Brito Danitza Vargas Andrea Reyes Alejandro Crdenas Matías Lpez‐Rodríguez 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):o234-o236
The title compound, C27H19NO2S, contains chains of fused (19) rings formed by intermolecular C—H·O=C hydrogen bonds and running along the [011] and [01] directions. These chains are linked through short intermolecular C—H·π contacts, giving rise to sheets. The conformation of the title compound is dominated primarily by the nearly orthogonal lone‐pair orbitals on the N and S atoms. 相似文献
9.
Paul D. Robinson Hisham G. Lutfi Yuqing Hou Cal Y. Meyers 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):582-584
The preparation of sp‐9‐acetylfluorene from the reaction of 9‐fluorenyllithium with acetyl chloride also provided 9‐(1‐acetoxyethylidene)fluorene (`diacetylfluorene') and 1,1‐di(9‐fluorenyl)ethanol, (II), as by‐products recently characterized by X‐ray analysis. A third by‐product, 1,1‐di(9‐fluorenyl)ethyl acetate, (III), C30H24O2, has now been unequivocally identified for the first time, and emanates from the acetylation of the oxyanion of (II). In the asymmetric unit, compound (III) exists as two almost identical structures which differ slightly, but significantly, in conformation. Neither possesses the significant fluorene‐ring bowing or the perpendicularity of the two ring planes exhibited by (II). The angle between the least‐squares planes of the two fluorene rings of (III) is 58.45 (9) and 60.95 (10)°, respectively, for the two conformations, and their corresponding bonding parameters also differ slightly in a number of instances. 相似文献
10.
Henning Osholm Srensen Magnus Magnussen Nicolai Stuhr‐Hansen 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):o503-o505
The first crystal structure of a three‐terminal sulfur end‐capped oligophenylenevinylene, C36H30O3S3·0.5C7H8, has been determined at 122 (1) K. The molecular threefold symmetry is not utilized in the crystal structure. It is confirmed that the double bonds have been fully transformed into a trans configuration by iodine treatment. 相似文献
11.
Daniel E. Lynch Ian McClenaghan 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o641-o643
Two chemical isomers of 3‐nitrobenzotrifluoride, namely 1‐(4‐chlorophenylsulfanyl)‐2‐nitro‐4‐(trifluoromethyl)benzene, C13H7ClF3NO2S, (I), and 1‐(4‐chlorophenylsulfanyl)‐4‐nitro‐2‐(trifluoromethyl)benzene, C13H7ClF3NO2S, (II), have been prepared and their crystal structures determined with the specific purpose of forming a cocrystal of the two. The two compounds display a similar conformation, with dihedral angles between the benzene rings of 83.1 (1) and 76.2 (1)°, respectively, but (I) packs in P while (II) packs in P21/c, with C—H⋯O interactions. No cocrystal could be formed, and it is suggested that the C—H⋯O associations in (II) prevent intermolecular mixing and promote phase separation. 相似文献
12.
Jrg Saßmannshausen Jrg Rust Richard Goddard 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):e236-e237
The title compound, [Zr(C7H7)3(C15H17)], (I), crystallizes from light petroleum with two independent molecules in the asymmetric unit. Whereas in the parent molecule, Zr(η5‐C5H5)(CH2Ph)3, all three Zr—CH2Ph angles are equal, in (I), they differ significantly. In spite of their different environments, both independent molecules in (I) exhibit a small, an expected, and a large Zr—CH2Ph angle. The angles are similar to those of the closely related tribenzyl[η5‐(benzyldimethylsilyl)cyclopentadienyl]zirconium complex. The smallest Zr—CH2Ph angle and the consequently relatively short Zr?Cipso distance are indicative of η2‐bonding of the benzyl group. 相似文献
13.
Cal Y. Meyers Paul D. Robinson Aaron W. McLean 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o156-o157
While the barriers of rotation of the sp and ap rotamers of 9‐(o‐methylphenyl)fluorene, C20H16, are sufficiently similar to permit them to equilibrate, both being observed (NMR) in solution, crystallization provides the sp rotamer, (I), exclusively. Although in the sp conformation the intramolecular distance between adjacent C atoms of the phenyl and fluorene rings is small [3.382 (4) Å, within 0.02 Å of the sum of the van der Waals radii], in the ap conformation the distance between the adjacent o‐CH3 group on the phenyl ring and C atom of the fluorene ring would be much closer, based on that exhibited in the crystalline ap progenitor 9‐(o‐methylphenyl)‐9‐fluorenol. The angle between the fluorene and 9‐aryl planes of (I) is 75.82 (10)°. 相似文献
14.
Md. Abdul Jabbar Isao Aritome Hisashi Shimakoshi Yoshio Hisaeda 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):o663-o665
The title compound, C14H10Cl2, crystallizes as colourless prisms with two symmetry‐independent molecules in the unit cell. Numerous intermolecular C—H⋯π interactions dominate in the crystal structure, where C—H⋯Cl and long Cl⋯Cl contacts are also observed. 相似文献
15.
Xiao‐Li Gao Yi‐Bin Wei Yan‐Ping Li Pin Yang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):m10-m12
In the title compound, [CuCl(C6H6N4)(H2O)][Cu(C4H5NO4)Cl]·H2O, the CuII atom in the cation is coordinated by one Cl− ion, two N atoms of the 2,2′‐biimidazole ligand and one aqua ligand. Within the anion, the CuII atom is bonded to one Cl− ion, and one N and two O atoms of the iminodiacetate ligand. Neighbouring cations and anions are connected to each other by Cu·Cl semi‐coordination bonds of 2.830 (12) and 3.071 (12) Å, forming a Cu2Cl2 rectangular unit. The dinuclear units further link into a polymeric chain along the a axis through Cu·Oaqua interactions of 2.725 (3) Å. Including the long coordination bonds, the geometries around the Cu atoms in the cation and anion are square‐pyramidal and distorted octahedral, respectively. 相似文献
16.
Yuqing Hou Paul D. Robinson Hisham G. Lutfi Cal Y. Meyers 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):428-430
Treatment of 9‐fluorenyllithium with acetyl chloride produces 9‐acetylfluorene, (I), and several by‐products, among which is `diacetylfluorene', now characterized definitively as 9‐(1‐acetoxyethylidene)fluorene [IUPAC name: (1‐fluoren‐9‐ylidene)ethyl acetate], (II), C17H14O2, derived from acetylation of initially formed (I). Various parameters disclose substantial structural distortion within (II) emanating from A(1,3) strain associated with the 9‐(acetoxyethylidenyl)fluorene system. 相似文献
17.
Rubn A. Toscano Emma Maldonado Alfredo Ortega Jorge Crdenas 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):846-847
The absolute configuration of the neoclerodane glycoside amarisolide, presented here as the monohydrate, C26H36O9·H2O, has been determined by association with the known configuration of the glucose moiety. Its structure was established as 2β‐(O‐β‐d ‐glucopyranosyl)neocleroda‐3,13(16),14‐trien‐15,16‐epoxy‐18,19‐olide. Extensive hydrogen bonding among the hydroxyl groups of the sugar moiety forms layers which are interconnected by water molecules. 相似文献
18.
Virginia Lozano Peter G. Jones 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o653-o655
The title compounds, C7H8Cl2N+·Cl− and C7H8Br2N+·Br−, are isomorphous. In the crystal packing, layers parallel to the ac plane are formed by a classical N+—H⋯X− hydrogen bond (X = halogen) and two X⋯X contacts. A third X⋯X contact links the layers, and a fourth, which is however very long, completes a ladder‐like motif of halogen atoms. Hydrogen bonds of the form C—H⋯X play at best a subordinate role in the packing. 相似文献
19.
Bjorn Olesen Marcus R. Bond 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o196-o197
The analysis of the title compound, C10H15NO4, firmly establishes the configuration of the double bond as E, a stereochemistry that had been assigned tentatively by other methods. The diacetylamine and acetate substituents are approximately coplanar to one another, but approximately perpendicular to the planar ethene core. H atoms of the ethene methyl substituents are found within the ethene plane, indicating that hyperconjugation does not play an important role in stabilizing the double bond. 相似文献
20.
Fabrizio Adani Enzo Montoneri Philip J. Squattrito 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):463-464
The title compound, C7H8FO6PS·H2O, contains both phosphonic and sulfonic acid functionalities. An extensive network of O—H?O hydrogen bonds is present in the crystal structure. The three acidic protons are associated with the phosphonate group. Two protons experience typical hydrogen‐bond contacts with the sulfonate‐O atoms, while the third has a longer covalent bond of 1.05 (3) Å to the phosphonate‐O atom and a short hydrogen‐bond contact of 1.38 (3) Å to the water O atom (all O—H?O angles are in the range 162–175°). The sulfonate group is positioned so that one S—O bond is nearly coplanar with the phenyl ring [torsion angle O—S—C—C ?8.6 (2)°]. The phosphonate group is oriented approximately perpendicular to the ring [torsion angle P—C—C—C 99.2 (2)°] with one P—O bond anti to the benzyl C—C bond. The molecules pack in layers in the b–c plane with the water molecules in between adjacent pairs of inverted layers. 相似文献