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1.
Jos S. Casas Emilia García‐Martínez María Soledad García‐Tasende Agustín Snchez Jos Sordo Ezequiel M. Vzquez‐Lpez María Jos Vidarte 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):932-933
The title compound, [SnCl2(CH3)(C6H5)(C5H8N2)2], was obtained by reaction of dichloromethylphenyltin(IV) and 3,5‐dimethylpyrazole (dmpz) in chloroform, and was recrystallized from acetone. The structure consists of octahedral all‐trans [SnMePhCl2(dmpz)2] molecules, with the Sn atom coordinated to two C [Sn—C 2.127 (5) and 2.135 (4) Å], two Cl [Sn—Cl 2.5753 (8) Å] and two N atoms [Sn—N 2.357 (3) Å]. The dmpz ligands, bound to the metal through their unprotonated N atoms, form weak intra‐ and intermolecular hydrogen bonds with the Cl ligands via their NH groups, giving rise to a polymeric chain along the c axis. 相似文献
2.
Daniel E. Lynch Ian McClenaghan 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o1-o5
The crystal structures of four trifluoromethylnitrobenzene analogues (CF3)C6H3(NO2)[C4H8N2]R (where C4H8N2 is piperazinyl and R is ethyl carboxylate, CO2C2H5, or phenyl, C6H5), have been determined, and their conformations and packing arrangements are compared. The four compounds are ethyl 4‐[4‐nitro‐2‐(trifluoromethyl)phenyl]piperazine‐1‐carboxylate, (I), and ethyl 4‐[2‐nitro‐4‐(trifluoromethyl)phenyl]piperazine‐1‐carboxylate, (II), both C14H16F3N3O4, and 1‐[4‐nitro‐2‐(trifluoromethyl)phenyl]‐4‐phenylpiperazine, (III), and 1‐[2‐nitro‐4‐(trifluoromethyl)phenyl]‐4‐phenylpiperazine, (IV), both C17H16F3N3O2. All molecules adopt a rod‐like conformation, while the asymmetric units of (II) and (IV) contain two unique molecules that pack as monodirectional pairs. All molecules pack with C—H⋯O/F close contacts to all but one of the O atoms and to five of the 18 F atoms. 相似文献
3.
Stanley A. Bajue Choy Lewis Karen Clarke Fitzgerald B. Bramwell Brian O. Patrick Carolyn Pratt Brock 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):m207-m211
The title complexes [μ‐(E)‐4,4′‐(ethene‐1,2‐diyl)dipyridine‐κ2N:N′]bis[halotris(4‐methylphenyl)tin(IV)], [Sn2(C7H7)6X2(C12H10N2)], where halo is chloro (X = Cl) and bromo (X = Br) are isostructural. In both crystals, the molecules lie on inversion centers, and there are voids of ca 80 Å3 that could, but apparently do not, accommodate water molecules. The corresponding iodo structure (X = I) is almost, but not quite, isostructural with the other two compounds; when Br is changed to I, the length of the c axis decreases by more than 1 Å and the voids are no longer large enough to accomodate any solvent molecule. The related complex [μ‐(E)‐4,4′‐(ethene‐1,2‐diyl)dipyridine‐κ2N:N′]bis[chlorotriphenyltin(IV)], [Sn2(C6H5)6Cl2(C12H10N2)], crystallizes in a related structure, but the molecules lie on general rather than on special positions. The molecular structures of the four complexes are similar, but the conformation of the phenyl derivative is approximately eclipsed rather than staggered. 相似文献
4.
David J. Wiedenfeld Vladimir N. Nesterov Mark A. Minton David R. Glass 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):o700-o702
Bis(2,5‐dimethoxy‐4‐methylphenyl)methane, C19H24O4, (IIa), was obtained and characterized as a minor product from the reaction of toluhydroquinone dimethyl ether (1,4‐dimethoxy‐2‐methylbenzene) with N‐(hydroxymethyl)trifluoroacetamide. Similarly, bis(2,5‐dimethoxy‐3,4,6‐trimethylphenyl)methane, C23H32O4, (IIb), was prepared from the corresponding reaction of trimethylhydroquinone dimethyl ether (2,5‐dimethoxy‐1,3,4‐trimethylbenzene). The molecules of (IIa) and (IIb) each lie on a twofold axis passing through the methylene group. The dihedral angle between the planar phenyl rings is 73.4 (1)° in (IIa) and 77.9 (1)° in (IIb). The external bond angles around the bridging methylene group are 116.6 (2) and 117.3 (2)° for (IIa) and (IIb), respectively. In (IIa), the methoxy substituents lie in the plane of the ring and are conjugated with the aromatic system, whereas in (IIb), they are almost perpendicular to the phenyl ring and are positioned on opposite sides. 相似文献
5.
Bis(methylsulfonamido) sulfone, C2H8N2O6S3 or SO2(NHSO2CH3)2, was synthesized from imidobis(sulfonyl chloride), HN(SO2Cl)2, and bis(trimethylsilyl)methane, CH2[Si(CH3)3]2, in chlorotrimethylsilane solution. In the solid state, there are two independent molecules linked by two N—H⋯O hydrogen bridges into infinite chains parallel to the b axis. The central S atoms of the independent molecules each lie on a twofold axis. Bis(trifluoromethylsulfonamido) sulfone, C2H2F6N2O6S3 or SO2(NHSO2CF3)2, was formed by the reaction of trichlorophosphazosulfuryl trifluoromethane, Cl3PNSO2CF3, with fluorosulfonic acid, FSO3H. The molecules are connected by bifurcated N—H⋯O bridges into infinite layers parallel to the [001] plane. The central S atom lies on a twofold axis. 相似文献
6.
Srinivasulu Aitipamula Ashwini Nangia Ram Thaimattam Mariusz Jasklski 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o481-o484
In tris(4‐hydroxyphenyl)methane (or 4,4′,4′′‐methanetriyltriphenol), C19H16O3, molecules are connected by O—H⃛O hydrogen bonds [O⃛O = 2.662 (2) and 2.648 (2) Å] into two‐dimensional square networks that are twofold interpenetrated. In tris(4‐hydroxyphenyl)methane–4,4′‐bipyridine (1/1), C19H16O3·C10H8N2, trisphenol molecules form rectangular networks via O—H⃛O [O⃛O = 2.694 (3) Å] and C—H⃛O [C⃛O = 3.384 (3) Å] hydrogen bonds. Bipyridine molecules hydrogen bonded to phenol moieties [O⃛N = 2.622 (3) and 2.764 (3) Å] fill the voids to complete the structure. 相似文献
7.
Seik Weng Ng A. David Rae 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):e47-e48
All three independent molecules in the triclinic modification of (O‐isopropyl dithiocarbonato‐S)triphenyltin, [Sn(C6H5)3(C4H7OS2)], show tetrahedral coordination at their Sn atoms. Bond dimensions involving the Sn atoms are similar to those found in the monoclinic modification of the same compound. Two of the independent molecules are related by a pseudo‐translation allowing a stacking fault that reduces the intensities of h + k odd reflections. 相似文献
8.
Simon J. Garden Marilza B. Corrêa Angelo C. Pinto James L. Wardell John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o234-o238
In ethyl N‐[2‐(hydroxyacetyl)phenyl]carbamate, C11H13NO4, all of the non‐H atoms lie on a mirror plane in the space group Pnma; the molecules are linked into simple chains by a single C—H⋯O hydrogen bond. The molecules of ethyl N‐[2‐(hydroxyacetyl)‐4‐iodophenyl]carbamate, C11H12INO4, are linked into sheets by a combination of O—H⋯I and C—H⋯O hydrogen bonds and a dipolar I⋯O contact. Ethyl N‐[2‐(hydroxyacetyl)‐4‐methylphenyl]carbamate, C12H15NO4, crystallizes with Z′ = 2 in the space group P; pairs of molecules are weakly linked by an O—H⋯O hydrogen bond and these aggregates are linked into chains by two independent aromatic π–π stacking interactions. 相似文献
9.
John Nicolson Low Justo Cobo Manuel Nogueras Adolfo Snchez Braulio Insuasty Harlen Torres 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o39-o41
2,2‐Dimethyl‐5‐[3‐(4‐methylphenyl)‐2‐propenylidene]‐1,3‐dioxane‐4,6‐dione, C16H16O4, crystallizes in the triclinic space group , with two molecules in the asymmetric unit. These molecules and a centrosymmetrically related pair, linked together by weak C—H?O hydrogen bonds, form a tetramer. 5‐[3‐(4‐Chlorophenyl)‐2‐propenylidene]‐2,2‐dimethyl‐1,3‐dioxane‐4,6‐dione, C15H13ClO4, also crystallizes in the triclinic space group , with one molecule in the asymmetric unit. Centrosymmetrically related molecules are linked together by weak C—H?O hydrogen bonds to form dimers which are further linked by yet another pair of centrosymmetrically related C—H?O hydrogen bonds to form a tube which runs parallel to the a axis. 相似文献
10.
Erich Dubler Helmut W. Schmalle Frdric Arod Alain Schneider 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):m111-m115
The syntheses and structures of two mixed‐ligand complexes of platinum(II) with deprotonated oxopurine bases and triphenylphosphine are reported, namely the theophyllinate complex cis‐bis(1,2,3,6‐tetrahydro‐1,3‐dimethylpurine‐2,6‐dionato‐κN7)bis(triphenylphosphine‐κP)platinum(II), [Pt(C7H7N4O2)2(C18H15P)2], (I), and the theobrominate complex cis‐chloro(1,2,3,6‐tetrahydro‐3,7‐dimethylpurine‐2,6‐dionato‐κN1)bis(triphenylphosphine‐κP)platinum(II) ethanol hemisolvate, [PtCl(C7H7N4O2)(C18H15P)2]·0.5C2H5OH, (II). In (I), the coordination geometry of Pt is square planar, formed by the two coordinating N atoms of the theophyllinate anions in a cis arrangement and two P atoms from the triphenylphosphine groups. In (II), there are two crystallographically independent molecules. They both exhibit a square‐planar coordination geometry around Pt involving one Cl atom, the coordinating N atom of the theobrominate anion and two P atoms from the triphenylphosphine groups. The two triphenylphosphine groups are arranged in a cis configuration in both structures. The heterocyclic rings are rotated with respect to the coordination plane of the metal by 82.99 (8) and 88.09 (8)° in complex (I), and by 85.91 (16) and 88.14 (18)° in complex (II). Both structures are stabilized by intramolecular stacking interactions involving the purine rings and the phenyl rings of adjacent triphenylphosphine moieties. 相似文献
11.
Jan Janczak Ryszard Kubiak 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):m237-m240
Isomorphous triclinic forms of dichloro[phthalocyaninato(2−)]tin(IV), [Sn(C32H16N8)Cl2], and dichloro[phthalocyaninato(2−)]germanium(IV), [Sn(C32H16N8)Cl2], and a monoclinic form of the latter have been obtained from the reaction of pure tin and germanium powder, respectively, with phthalonitrile under a stream of ICl vapour. All three crystal structures consist of centrosymmetric [SnPcCl2] and [GePcCl2] [Pc is phthalocyaninate(2−)] molecules, which are separated but interacting. In the triclinic forms (Sn and Ge), the Pc macrocycles are not staggered but slipped, and in the monoclinic form (Ge), the molecules are additionally inclined. In both cases, the central Sn or Ge atom is six‐coordinated by the four isoindole N atoms of the Pc macrocyclic ligand and by two Cl atoms (located trans) into a tetragonal–bipyramidal structure. The arrangement of [SnPcCl2] and [GePcCl2] molecules in the crystal structure is determined mainly by intermolecular C—H⃛Cl, π–π and van der Waals interactions. 相似文献
12.
Philip J. Cox 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):o533-o536
The crystal structures of the title compounds (both C7H7ClO) are characterized by two independent molecules in each of the asymmetric units and feature O—H...O, C—H...π and π–π interactions. In addition, intermolecular C—H...Cl and intramolecular O—H...Cl interactions are present in 2‐chloro‐5‐methylphenol. For each crystal, the non‐covalent interactions emphasize the different spatial environments for the two independent molecules. 相似文献
13.
Wei Huang Hui‐Fen Qian Yi‐Hu Chen Shao‐Hua Gou Yi‐Zhi Li 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o479-o480
The title compound, (1S,3R)‐3‐carbamoyl‐2,2,3‐trimethylcyclopentane‐1‐carboxylic acid, C10H17NO3, was synthesized and characterized by IR, EA, ES–MS (electrospray ionization mass spectra), 1H NMR, 13C NMR and X‐ray diffraction techniques. The two independent molecules form a two‐dimensional network via O—H⃛O and N—H⃛O hydrogen‐bonding interactions between their carboxylic acid and carbamoyl groups. 相似文献
14.
Cara L. Nygren M. E. T. Bragg John F. C. Turner 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):m4-m6
In the title compound, [ZrCl2(C14H12N)2(C4H8O)2]·1.5C6H6, the Zr atom is pseudo‐octahedral, with two Cl atoms in trans positions and two tetrahydrofuran molecules in cis positions. The two 3,6‐dimethylcarbazolyl ligands are in cis positions and are canted with respect to one another. The two Zr—N distances are 2.1148 (18) and 2.1236 (18) Å, and the N—Zr—N angle is 95.08 (7)°. The title compound crystallizes as the benzene solvate, with one of the benzene molecules positioned on an inversion center. 相似文献
15.
Jose G. Trujillo‐Ferrara Efrn V. García‐Bez Itzia I. Padilla‐Martínez Francisco J. Martínez‐Martínez Norberto Farfan‐García 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):o427-o430
In exo‐2‐(3,5‐dioxo‐10‐oxa‐4‐azatricyclo[5.2.1.02,6]dec‐8‐en‐4‐yl)phenyl acetate, C16H13NO5, the plane of the acetoxy group lies almost perpendicular to that of the phenyl ring [dihedral angle = 89.8 (1)°], in contrast with the smaller deviations found in the para isomer exo‐4‐(3,5‐dioxo‐10‐oxa‐4‐azatricyclo[5.2.1.02,6]dec‐8‐en‐4‐yl)phenyl acetate, C16H13NO5, these being 63.6 (1) and 37.0 (1)° for the two crystallographically independent molecules. Irrespective of the position of the acetoxy group, both compounds pack through soft C—H⋯X (X is O or phenyl) interactions, forming interlinked centrosymmetric tetramers in the bc plane. 相似文献
16.
Davide Barreca Franco Benetollo Simona Garon Eugenio Tondello Pierino Zanella 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):e290-e291
The title compound, di‐μ‐diethylamido‐N:N‐bis[chlorodimethyltin(IV)], consists of discrete [Sn2Cl2(CH3)4(C4H10N)2] dimer molecules, with Sn atoms linked by bridging diethylamido groups. The coordination geometry about the metal atom is distorted trigonal bipyramidal, with the two methyl C atoms and one N atom in the equatorial plane, and the Cl and second N atom in axial positions. 相似文献
17.
Hassan Allouchi Michel Cotrait Bernard Jousseaume Marie‐Claude Rascle Thierry Toupance 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):m363-m364
In the title compound, [Sn(C3H4F3)2Cl2(C5H5N)2], the Sn atom lies on an inversion centre and is octahedrally coordinated by two Cl atoms, two trifluoropropyl groups and two N atoms in an all‐trans configuration. The electronegative trifluoropropyl groups increase the electrophilic properties of the Sn atom, and the Sn—Cl and Sn—N bonds are shortened in comparison with those reported for analogous compounds. 相似文献
18.
Janet M. S. Skakle James L. Wardell Solange M. S. V. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(7):m413-m417
In the crystal structures of (4‐nitrophenylsulfanylmethyl)triphenylstannane, [Sn(C6H5)3(C7H6NO2S)], (I), and (4‐nitrophenylsulfonylmethyl)triphenylstannane, [Sn(C6H5)3(C7H6NO4S)], (II), the molecules are linked by paired C—H?O hydrogen bonds into centrosymmetric dimers which combine to form sheets. In (I), two such dimers form to give R(10) and R(24) rings. In (II), similar dimers form, here with R(10) and R(18) rings, but with an additional dimer due to the presence of the sulfone group, giving R(10) rings. In both structures, C—H?π interactions lead to a doubling of the width of the sheets. 相似文献
19.
Maren Pink Doyle Britton Wayland E. Noland Matthew J. Pinnow 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1271-1273
The molecular structures of the title compounds, 2,4,6‐trichlorophenylisonitrile (IUPAC name: 2,4,6‐trichlorophenyl isocyanide), C7H2Cl3N, and 2,4,6‐trichlorobenzonitrile, C7H2Cl3N, are normal. The two structures are not isomorphous, but do contain similar two‐dimensional layers in which pairs of molecules are held together by pairs of Cl?CN [3.245 (3) Å] or Cl?NC [3.153 (2) Å] interactions. The two‐dimensional isomorphism is lost through different layer‐stacking modes. 相似文献
20.
Anthony Linden Changchun Fu Agnieszka Majchrzak Grzegorz Mloston Heinz Heimgartner 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):o231-o234
The molecules of dispiro[1,3‐dithietane‐2,2′:4,2′′‐diadamantane], C20H28S2, have crystallographic Ci symmetry, as well as local D2h symmetry, and a planar 1,3‐dithietane ring. The molecules of trispiro[1,3,5‐trithiane‐2,2′:4,2′′:6,2′′′‐triadamantane], C30H42S3, have approximate C2 symmetry and the 1,3,5‐trithiane ring has a twist–boat conformation. The C—S—C bond angles within the ring are about 8° larger than observed in most related 1,3,5‐trithiane structures. In dispiro[1,2,4‐trithiolane‐3,2′:5,2′′‐diadamantane], C20H28S3, the molecules have local C2 symmetry and the 1,2,4‐trithiolane ring has a half‐chair conformation. 相似文献