共查询到20条相似文献,搜索用时 15 毫秒
1.
William Tam Sean Handerson George Ferguson 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):e71-e71
The regio‐ and stereochemistry of the title compound, C12H15NO, has been established by X‐ray analysis. The molecular dimensions are normal. 相似文献
2.
Vladimir N. Nesterov Elena A. Viltchinskaia 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):872-873
The positions of the C=C double bonds in the title compound, C16H16N4, the subject of some dispute in the literature, have been clearly identified. The cyclohexene ring has a distorted half‐chair conformation and the cyclopentene and cyclopentane rings adopt envelope conformations. The dihedral angles between planar fragments of the cyclohexene and cyclopentene rings and of the cyclohexene and cyclopentane rings are 7.5 (1) and 86.98 (9)°, respectively. In the crystal, intermolecular N—H?N hydrogen bonds link the molecules into infinite chains running in the [10] direction. 相似文献
3.
Fang‐Jun Huo Cai‐Xia Yin Xiang‐Lin Jin Pin Yang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):o332-o335
The two title chromene compounds, 3,3a‐dihydrocyclopenta[b]chromen‐1(2H)‐one, C16H12O2, (I), and 2‐(2‐hydroxybenzylidene)‐3,3a‐dihydrocyclopenta[b]chromen‐1(2H)‐one, C19H14O3, (II), have been determined in the monoclinic space group P21/n. Compound (I) is mainly stabilized by C—H⋯π interactions. Compound (II) is linked into infinite one‐dimensional chains with a C(3) motif via intermolecular O—H⋯O hydrogen bonds. The intermolecular C—H⋯π and π–π interactions also play key roles in stabilizing the crystal packing. Two intramolecular C—H⋯O hydrogen bonds with S(5) motifs were detected in (II). 相似文献
4.
Won Seok Han Soon W. Lee 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):m189-m190
In the title compound, azido‐2κN‐bis[μ‐(1η5:2κP)‐diphenylphosphinocyclopentadienyl][2(η5)‐pentamethylcyclopentadienyl]iron(III)rhodium(III) hexafluorophosphate, [{Rh(C10H15)(N3)}{Fe(μ‐C17H14P)2}]PF6 or [FeRh(C10H15)(μ‐C17H14P)2(N3)]PF6, the coordination sphere of RhIII can be described as pseudo‐tetrahedral, composed of two P atoms from a 1,1′‐bis(diphenylphosphino)ferrocene (dppf) ligand, an azido N atom and the centroid of the ring of a C5Me5 (Cp*) ligand. The two cyclopentadienyl rings in the dppf moiety adopt an eclipsed conformation. The Rh⋯Fe distance is 4.340 (2) Å. 相似文献
5.
Huanrong Li Yingming Yao Qi Shen Linhong Weng 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):887-888
The title complex, [La2(C6H7)4(C6H5S)2(C4H8O)2]·2C4H8O, is a centrosymmetric dimer bridged through the S atoms of the benzenethiolate ligands. The bridging La2S2 unit is completely planar, while the geometry around the nine‐coordinate La atom is that of a distorted trigonal bipyramid. The La—S—La and S—La—S angles are 117.51 (4) and 62.5 (1)°, respectively, and the average La—S bond length is 2.9759 Å. The crystals contain two tetrahydrofuran solvate molecules for every complex molecule. 相似文献
6.
Ki‐Young Choi Yong‐Son Kim Geum‐Hong Choo Jin‐Gyu Kim Il‐Hwan Suh 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1014-1015
The title compound, [Cu(C24H46N6O2)]Cl2·8H2O, contains a centrosymmetric cation, with the anions and water molecules on general sites. The coordination geometry around the CuII ion is an axially elongated octahedron, with Cu—N distances of 2.0448 (17) and 2.0847 (17) Å, and a Cu—O1 distance of 2.3138 (16) Å. 相似文献
7.
Sirin Sahana Chandrakanta Bandyopadhyay Siddhartha Chaudhuri 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1450-1451
The crystal structure of the title compound, C32H24O4, contains three fused dihydropyran rings (A, B and C); ring A is fused with a benzene ring while the other two rings, B and C, are fused with naphthalene rings. Ring A adopts a half‐chair conformation with an equatorial methoxy group, whereas ring B assumes a distorted half‐chair conformation, the A/B ring junction being trans. Ring C adopts a distorted half‐boat conformation and is nearly orthogonal to ring B. Ring C is inclined to the best plane of ring A at an angle of 112.1 (1)°. 相似文献
8.
Chadwick D. Sofield Marc D. Walter Richard A. Andersen 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):m465-m466
The title compound, [Ti(C11H21Si2)2(NH2)], crystallizes as a bent metallocene, with the NH2 group oriented to maximize the π interaction between the N atom and the TiIII center. The increased π bonding is reflected in a short Ti—N bond length of 1.933 (3) Å. 相似文献
9.
Ivan Leban Lovro Seli
Toma Mesar Anton opar Tom olmajer 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):o367-o369
The molecular structure of the title tricyclic compound, C17H21NO4, which is the immediate precursor of a potent synthetic inhibitor {Lek157: sodium (8S,9R)‐10‐[(E)‐ethylidene]‐4‐methoxy‐11‐oxo‐1‐azatricyclo[7.2.0.03,8]undec‐2‐ene‐2‐carboxylate} with remarkable potency, provides experimental evidence for the previously modelled relative position of the fused cyclohexyl ring and the carbonyl group of the β‐lactam ring, which takes part in the formation of the initial tetrahedral acyl–enzyme complex. In this hydrophobic molecule, the overall geometry is influenced by C—H?O intramolecular hydrogen bonds [3.046 (4) and 3.538 (6) Å, with corresponding normalized H?O distances of 2.30 and 2.46 Å], whereas the molecules are interconnected through intermolecular C—H?O hydrogen bonds [3.335 (4)–3.575 (5) Å]. 相似文献
10.
Liang Shen Hua‐Tong Wang Yi‐Jian Zhang Zhi‐Min Jin 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):m180-m182
The bimetallic title complex, [CuFe(CN)5(C12H30N6O2)(NO)] or [Cu(L)Fe(CN)5(NO)] [where L is 1,8‐bis(2‐hydroxyethyl)‐1,3,6,8,10,13‐hexaazacyclotetradecane], has a one‐dimensional zigzag polymeric –Cu(L)–NC–Fe(NO)(CN)3–CN–Cu(L)– chain, in which the CuII and FeII centres are linked by two CN groups. In the complex, the CuII ion is coordinated by four N atoms from the L ligand [Cu—N(L) = 1.999 (2)–2.016 (2) Å] and two cyanide N atoms [Cu—N = 2.383 (2) and 2.902 (3) Å], and has an elongated octahedral geometry. The FeII centre is in a distorted octahedral environment, with Fe—N(nitroso) = 1.656 (2) Å and Fe—C(CN) = 1.938 (3)–1.948 (3) Å. The one‐dimensional zigzag chains are linked to form a three‐dimensional network via N—H⋯N and O—H⋯N hydrogen bonds. 相似文献
11.
Yun‐Yan Kuang Ming Huo Fen‐Er Chen 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):o505-o506
In the title compound, C10H14BrNO3, the six‐membered lactone ring is in a boat conformation, with the two carbonyl groups cis to one another across the boat basal plane. C—H⋯O hydrogen bonds and weak C—H⋯Br interactions stabilize the crystal structure. 相似文献
12.
Dianne D. Ellis Anthony L. Spek 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):558-559
The titanocene complex [Ti(C10H15)(C15H23N)] features a pentamethylcyclopentadienyl ligand and a substituted cyclopentadienyl ligand Me4C5R, where R is an amino functional group which is subsequently attached to the titanium metal centre. The structure has been determined to ascertain the conformational properties of the side chain with regard to extended conjugation between the π systems and the nature of the amino interaction with the metal centre. 相似文献
13.
Wei‐Jiang He Zhi‐Feng Ye Yan Xu Zi‐Jian Guo Long‐Gen Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):1019-1020
In the title macrocyclic polyamine, C24H38N6·5H2O, the centrosymmetric polyamine molecules are stacked in rows, and between these molecules there are channels along the a axis. The intermolecular hydrogen bonds formed between the water and polyamine, together with those formed between water molecules, generate an extensive hydrogen‐bonding network. 相似文献
14.
Shaoming Duan Ronald J. Baker John Masnovi 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):99-101
The structure of 9‐phenyl‐3,4,4a,9a‐tetrahydrotriptycene, C26H22, (I), exhibits regiochemistry consistent with a stepwise mechanism for its formation from photocycloaddition of 1,3‐cyclohexadiene and 9‐phenylanthracene. Bond distances involving the bridgehead C atoms are similar in (I) and the hydrogenated derivative, 9‐phenyl‐1,2,3,4,4a,9a‐hexahydrotriptycene, C26H24, (II), with bonds to the quaternary‐C atoms exhibiting significant elongation [1.581 (2) Å in (I) and 1.585 (2) Å in (II)]. The molecular geometry precludes significant σ–π overlap between the phenyl groups and the interannular bonds in both compounds, indicating that the origin of the bond lengthening is steric in nature. 相似文献
15.
Xi‐Rui Zeng S. Shanmuga Sundara Raj Hoong‐Kun Fun Jing‐Lin Zuo Xiao‐Zeng You 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):941-942
In the title complex, [RuCl2(C16H36N4)]I3, the overall symmetry of the centrosymmetric cation is approximately C2h and the I anions are slightly asymmetric. The I?I distance is 4.313 (1) Å. The cations and the linear anions are arranged in alternate layers and thus form the intercalating structure. 相似文献
16.
N. T. Do Valle C. A. De Simone M. A. Pereira M. O. F. Goulart 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):566-567
Interest in the title structure, C20H24O2, lies in the novel cis ring junction between the three‐ and seven‐membered rings. This stereochemical arrangement causes the methylene moiety and the cycloheptane ring to be twisted out of the plane of the aromatic ring. The cyclopropane ring is also twisted out of the plane of the aromatic system. The molecules are linked by an O—H?O hydrogen bond [O?O 2.741 (3) Å]. 相似文献
17.
Kraig A. Wheeler 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(5):o231-o233
The title trans prolyl amide exists as a benzene solvate, C15H18N2O3·C6H6, with positional disorder of the prolyl ring. The molecular structure is influenced by a close intramolecular N—H⋯N contact that provides structural support for the intramolecular catalysis of peptidyl–prolyl cis–trans isomerization. 相似文献
18.
Bahija Abouhamza Mustapha Ait Ali Smaïl Allaoud Olivier Blacque Bernard Frange Abdallah Karim 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):796-798
The structures of two atropisomers of the title compound, [Cr(C16H18B2Cl2N2)(CO)3], are reported. For both compounds, the Cr(CO)3 moiety is bound to the C6 aromatic ring of the molecule; the existence of atropisomers resulting from the non‐equivalence of both faces of the C6 aromatic ring is a consequence of the 3‐chloro‐2‐methylphenyl ring being nearly perpendicular to the mean plane of the 2,4‐dibora‐1,3‐diazanaphthalene ring. The orientation of the Cr(CO)3 tripod relative to the C6 aromatic ring is such that it is nearly eclipsed in one isomer (2.4° rotation from being eclipsed with C—N, C—Cl and C—H) and slightly twisted (16.2°) from an eclipsed conformation in the other. 相似文献
19.
Anwar Usman Ibrahim Abdul Razak Hoong‐Kun Fun Suchada Chantrapromma Bao‐Guo Zhao Jian‐Hua Xu 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o57-o58
In the title compound, C26H22O4, the pyranone ring adopts a twisted boat conformation, while the cyclohexane ring is close to an envelope conformation. The dihedral angle between the mean planes of the coumarin and naphthalene systems is 78.8 (1)°. The attached phenyl ring is in an equatorial position with respect to the cyclohexane ring. 相似文献
20.
Carlos Lodeiro Rufina Bastida Alejandro Macías Adolfo Rodríguez Andre Saint‐Maurice 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):e255-e256
The X‐ray structure determinations of the two title compounds, namely 7‐methyl‐7,17‐diaza‐3,11‐diazoniabicyclo[11.3.1]heptadeca‐1(17),13,15‐triene dichloride monohydrate, C14H26N42+·2Cl?·H2O, (I), and 7‐methyl‐17‐aza‐3,7,11‐triazoniabicyclo[11.3.1]heptadeca‐1(17),13,15‐triene 2.826‐chloride 0.174‐nitrate, C14H27N43+·2.826Cl?·0.174NO3?, (II), are reported. Protonation occurs at the secondary amine N atoms in (I) and at all three amine N atoms in (II) to which the Cl? ions are linked via N—H?Cl hydrogen bonds. The macrocyclic hole is quite different in both structures, as is observed by comparing particularly the N3?N4 distances [2.976 (4) and 4.175 (4) Å for (I) and (II), respectively]. In (II), a Cl? ion alternates with an NO3? ion in a disordered structure. 相似文献