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1.
Andrei S. Batsanov Judith A. K. Howard David O'Hagan Mustafa Tavasli 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):e512-e513
The title compound [alternative name: 8‐methyl‐8‐azabicyclo[3.2.1]octan‐3‐ylmethyl p‐toluenesulfonate(N8—B)–borane], C16H26BNO3S, has the tosyloxymethyl substituent in an endo position. The BH3 group is equatorial and the (N‐bonded) methyl group is axial, relative to the six‐membered heterocycle. The N—B bond of 1.649 (8) Å is one of the longest known. 相似文献
2.
Vijayakumar N. Sonar Sean Parkin Peter A. Crooks 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o647-o649
Crystals of the title compound, C15H17NO3, were obtained from a condensation reaction of 3‐hydroxy‐4‐methoxybenzaldehyde with 1‐azabicyclo[2.2.2]octan‐3‐one and subsequent crystallization of the product from methanol. The title compound, containing a double bond that connects the azabicyclic ring system to the 3‐hydroxy‐4‐methoxybenzylidene group, was obtained with Z geometry. 相似文献
3.
Angle Chiaroni Claude Riche Sverinne Rigolet Jean‐Marie Mlot Joël Vebrel 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):473-474
The two title 5‐oxa‐2,6‐diazaspiro[3.4]octan‐1‐one adducts, 7‐benzoyl‐2‐(4‐methoxyphenyl)‐6‐phenyl‐5‐oxa‐2,6‐diazaspiro[3.4]octan‐1‐one, C25H22N2O4, (III), and 6‐tert‐butyl‐2‐(4‐methylphenyl)‐7‐phenyl‐5‐oxa‐2,6‐diazaspiro[3.4]octan‐1‐one, C22H26N2O2, (IV), were obtained from a stereospecific [3+2] 1,3‐cycloaddition of 3‐methylene azetidin‐2‐ones as dipolarophiles with nitrones. The lactam ring is conjugated with the p‐methoxyphenyl or p‐methylphenyl moiety. The envelope conformations of the isoxazolidine rings in (III) and (IV) are different, leading the substituents to be pseudo‐axial in (III) and pseudo‐equatorial in (IV). 相似文献
4.
Alexander J. Blake Vito Lippolis Martin Schrder 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o100-o102
The reaction of 1‐thia‐4,7‐diazacyclononane with bromoacetyl bromide in CHCl3 affords the unexpected salt 4‐(2‐bromoacetyl)‐8‐oxo‐1‐thionia‐4,7‐diazabicyclo[5.2.2]undecane bromide, C10H16BrN2O2S+·Br−. Two units of the salt are linked by S⋯Br contacts about a crystallographic inversion centre, thus forming dimers that are linked by Br⋯Br contacts into extended ribbons. S⋯O contacts between these ribbons generate a two‐dimensional sheet. 相似文献
5.
Richard C. Cambie Clifton E. F. Rickard P. Stewart Rutledge Keri D. Wellington 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):958-960
The sponge Hamigera tarangaensis has yielded eight new compounds and we report here the structure of one of these compounds, hamigeran A, C20H25BrO5, or methyl 7‐bromo‐4β,6‐dihydroxy‐1β‐isopropyl‐3aα,8‐dimethyl‐5‐oxo‐1a,3a,4,5‐tetrahydrocyclopenta[a]naphthalene‐4‐carboxylate, and the decomposition product of hamigeran D, C21H28BrNO4, namely 2‐(8‐bromo‐2β,7‐dimethyl‐4‐oxo‐1,3α‐benzoxazan‐5‐yl)‐3‐isopropylcyclopentylacetic acid. 相似文献
6.
Zhi‐Min Jin Chen‐Shui Lin Hai‐Bin Wang Mao‐Lin Hu Liang Shen Liang‐Ren Huang 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):o765-o767
In the title adduct, C6H12N2·C7H8O2, the orcin and 1,4‐diazabicyclo[2.2.2]octane moieties are held together by O—H⋯N hydrogen bonds. One‐dimensional chiral hydrogen‐bonded chains are formed along the b axis. Neighbouring chains are held together principally by van der Waals interactions and are interrelated by translation, resulting in a chiral layer. 相似文献
7.
Paul V. Bernhardt 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):744-746
The title pendent‐arm macrocyclic hexaamine ligand binds stereospecifically in a hexadentate manner, and we report here its isomorphous NiII and ZnII complexes (both as perchlorate salts), namely (cis‐6,13‐dimethyl‐1,4,8,11‐tetraazacyclotetradecane‐6,13‐diamine‐κ6N)nickel(II) diperchlorate, [Ni(C12H30N6)](ClO4)2, and (cis‐6,13‐dimethyl‐1,4,8,11‐tetraaza‐cyclotetradecane‐6,13‐diamine‐κ6N)zinc(II) diperchlorate, [Zn(C12H30N6)](ClO4)2. Distortion of the N—M—N valence angles from their ideal octahedral values becomes more pronounced with increasing metal‐ion size and the present results are compared with other structures of this ligand. 相似文献
8.
Anthony Linden Andreas Gebert Heinz Heimgartner 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):764-766
The tetrathiane ring of the title compound, C26H16S4, has a chair conformation and the molecule has approximate C2 symmetry. Each of the two fluorene ring systems is virtually planar, with the ring planes intersecting at an angle of 67.58 (5)°. This novel compound has been formed as a side product from the treatment of 9H‐fluorene‐9‐thione with methyl N‐[(benzylidene)phenyl]glycinate in the presence of LiBr and 1,6‐diazabicyclo[5.4.0]undecane. 相似文献
9.
Dichloro(norbornadiene)platinum(II): a comparison with dichloro(cyclooctadiene)platinum(II)
Jeffrey L. Butikofer Eric W. Kalberer William C. Schuster Dean M. Roddick 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m353-m354
The crystal structure of the title compound, (bicyclo[2.2.1]hepta‐2,5‐diene)dichloroplatinum(II), [PtCl2(C7H8)], has been determined from single‐crystal X‐ray analysis. The coordination sphere about the Pt atom is pseudo‐square planar, with shorter Pt—C distances than in the corresponding dichloro(cyclooctadiene)platinum(II) complex. 相似文献
10.
Masood Parvez Oliver E. Edwards Zdzisaw Paryzek 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o249-o251
The structures of 3β‐acetoxy‐9α,11α‐epoxy‐5α‐lanost‐9(11)‐en‐7‐one and 3β‐acetoxy‐9β,11β‐epoxy‐5α‐lanost‐9(11)‐en‐7‐one, C32H52O4, differ in their respective substituted cyclohexanone rings but adopt similar conformations in the other three rings. In both of the crystal structures, weak intermolecular C—H⋯O interactions are present. 相似文献
11.
Zhi‐Min Jin Hui‐Min Zhang Hai‐Bin Wang Mao‐Lin Hu Liang Shen 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):m572-m574
The title compound, (C6H14N2)[Cr2O7], consists of a diazabicyclo[2.2.2]octane‐1,4‐diium cation and a discrete dichromate anion, which are linked in the crystal by N—H⋯O hydrogen bonds. The cation is ordered and distorted, owing to the confinement and twist of the hydrogen bonds involved. Two CrO4 tetrahedra are joined through a shared O atom to form the dichromate anion. Chiral supramolecular chains of the title compound are built up via N—H⋯O hydrogen bonds, and C—H⋯O interactions play subordinate roles in forming the structure. 相似文献
12.
Sebastian T. Marcus Lawrence R. Gahan Paul V. Bernhardt 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):655-658
The structures of diaqua(1,7‐dioxa‐4‐thia‐10‐azacyclododecane)nickel dinitrate, [Ni(C8H17NO2S)(H2O)2](NO3)2, (I), bis(nitrato‐O,O′)(1,4,7‐trioxa‐10‐azacyclododecane)mercury, [Hg(NO3)2(C8H17NO3)], (II), and aqua(nitrato‐O)(1‐oxa‐4,7,10‐triazacyclododecane)copper nitrate, [Cu(NO3)(C8H19N3O)(H2O)]NO3, (III), reveal each macrocycle binding in a tetradentate manner. The conformations of the ligands in (I) and (III) are the same and distinct from that identified for (II). These differences are in agreement with molecular‐mechanics predictions of ligand conformation as a function of metal‐ion size. 相似文献
13.
Il Yoon Byeong Soon Yoo Shim Sung Lee Bong Gon Kim 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):758-759
The preparation and crystal structure of the title compound, cis‐dichloro[6,9‐dioxa‐3,12‐dithiabicyclo[12.4.0]octadeca‐14,‐16,18(1)‐triene‐S,S′]palladium(II), [PdCl2(C14H20O2S2)], are described. The Pd atom has a square‐planar environment, coordinated to two S atoms of the dithiadioxa macrocycle and to two Cl? ions. The non‐coordinating O atoms are oriented away from the metal coordination plane. Upon complexation, a bicyclic chelate structure, which consists of a seven‐ and an eleven‐membered ring, is formed. 相似文献
14.
Fatima Lazrak El‐Mokhtar Essassi Brahim El‐Bali Michael Bolte 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):e164-e164
The title compound, 4,7‐dioxa‐10‐thia‐1,12,13‐triazabicyclo[9.3.0]tetradeca‐11,13‐diene, C8H13N3O2S, contains an 11‐membered ring, which appears in a chair conformation and has approximate mirror symmetry. It may be used for the complexation of metal atoms. 相似文献
15.
Alexander J. Blake Lorenzo Tei Claire Wilson Martin Schrder 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(2):m43-m45
The asymmetric unit of {[4,7‐bis(2‐aminoethyl)‐1,4,7‐triazacyclononan‐1‐yl]acetato}zinc(II) triaqua{μ‐[4,7‐bis(2‐aminoethyl)‐1,4,7‐triazacyclononan‐1‐yl]acetato}lithium(I)zinc(II) chloride diperchlorate, [Zn(C12H26N5O2)][LiZn(C12H26N5O2)(H2O)3]Cl(ClO4)2, obtained from the reaction between the lithium salt of 4,7‐bis(2‐aminoethyl)‐1,4,7‐triazacyclononane‐1‐acetate and Zn(ClO4)2, contains two ZnII complexes in which each ZnII ion is six‐coordinated by five N‐atom donors and one O‐atom donor from the ligand. One carboxylate O‐atom donor is not involved in coordination to a ZnII atom, but coordinates to an Li+ ion, the tetrahedral geometry of Li+ being completed by three water molecules. The two complexes are linked via a hydrogen bond between a primary amine N—H group and the carboxylate‐O atom not involved in coordination to a metal. 相似文献
16.
Silvana Guilardi Ruggiero Maria Teresa do Prado Gambardella Marcelo Cardoso Branco Antonio Jacinto Demuner Luis Claudio A. Barbosa Dorila Pil‐Veloso 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):868-869
The crystal structure of 21α‐fluoro‐7‐norvouacapane‐17β,21α‐lactone, C20H25FO3, a new synthetic derivative of the diterpenoid 6α,7β‐dihydroxyvouacapan‐17β‐oic acid isolated from Pterodon polygalaeflorus Benth fruits, is described. 相似文献
17.
Yoshinobu Inouye 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):e361-e362
The reduction of (1R,8R,11R)‐3,3,11‐trimethyl‐6,6‐ethylenedioxybicyclo[6.3.0]undecan‐2‐one, C16H26O3, (I), gave exclusively an alcohol, C16H28O3, (II). The stereochemistry of the hydroxyl group in (II) was shown as R. The conformation around the eight‐membered carbocycle in (I) differs markedly from that in (II). 相似文献
18.
Tamami Koshiyama Masako Kato 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):m446-m449
The title PtII complexes, viz. (2,2′‐bipyridine‐κ2N,N′)[(1R,2R)‐1,2‐diaminocyclohexane‐κ2N,N′]platinum(II) bis(hexafluorophosphate), [Pt(C6H14N2)(C10H8N2)](PF6)2, and [(1R,2R)‐1,2‐diaminocyclohexane‐κ2N,N′](1,10‐phenanthroline‐κ2N,N′)platinum(II) bis(hexafluorophosphate), [Pt(C6H14N2)(C12H8N2)](PF6)2, containing an aromatic α‐diimine and a non‐planar diaminocyclohexane, both form a ladder‐type structure, which is constructed via loose π–π stacking on the α‐diimine ligands and hydrogen bonding between the cyclic amines and the counter‐anions. In the former compound, there are two independent complex cations, both of which have a twofold axis through the Pt atom. 相似文献
19.
Sara K. Metcalf Elizabeth M. Holt 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1228-1231
Diethyl 4‐(2,5‐dimethoxyphenyl)‐2,6‐dimethyl‐1,4‐dihydropyridine‐3,5‐dicarboxylate, C21H27NO6, (I), diethyl 4‐(3,4‐dimethoxyphenyl)‐2,6‐dimethyl‐1,4‐dihydropyridine‐3,5‐dicarboxylate, C21H27NO6, (II), and diethyl 2,6‐dimethyl‐4‐(3,4,5‐trimethoxyphenyl)‐1,4‐dihydropyridine‐3,5‐dicarboxylate, C22H29NO7, (III), crystallize with hydrogen‐bonding networks involving the H atom bonded to the N atom of the 1,4‐dihydropyridine ring and carbonyl O atoms in (I) and (II). Unusually, (III) shows O atoms of methoxy groups serving as hydrogen‐bond acceptors. 相似文献
20.
Miao Du Lin‐Hong Weng Xue‐Bing Leng Xian‐He Bu Ruo‐Hua Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1090-1091
The crystal structure of the title complex, [Cd(C20H25N2O2)Cl], reveals a hydrogen‐bonded dimer composed of neutral molecules. The CdII center is five‐coordinated by two O atoms of the pendant arms, two nitrogen donors of the 1,5‐diazacyclooctane ring and a chloride anion. The coordination geometry of the complex could be described as a distorted square pyramid. The 1,5‐diazacyclooctane backbone adopts a boat/chair configuration and the two phenol/phenolato groups have a dihedral angle of 101.3 (2)° between them. The coordinated phenolate and phenolic groups of inversion‐related molecules form strong intermolecular O—H?O hydrogen bonds. 相似文献