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1.
The complex Eu(btfa)3 (phen) (btfa=4,4,4‐trifluoro‐1‐phenyl‐1, 3‐butanedione, phen = 1,10‐phenanthroline) has been prepared and characterized by elemental analysis, IR and UV spectroscopies. The crystal and molecular structures of the complex have been determined by X‐ray diffraction analysis. It belongs to the monoclinic crystal system, space group P21/c with a = 0.9700(2) nm, b = 3.7450(5) nm, c = 1.0917(3) nm, β = 92.51(2)°, V = 3.962(1) nm5, Z = 4, Dc = 1.639 g/cm3, μ = 1.676 mm?1, F(000) = 1936, R1, = 0.0388, wR2 = 0.0775. Structure analysis shows that the europium(III) ion is coordinated to six oxygen atoms of β‐diketonate anions and two nitrogen atoms of phenanthroline molecule. The coordination polyhedron is an approximate square antiprism. 相似文献
2.
Maria Gdaniec Elbieta Nowak Maria J. Milewska Tadeusz Pooski 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):o661-o662
The molecule of the title compound, C8H11NO2, contains a strained bicyclic system with a significantly twisted imide chromophore. The five‐membered ring fragment containing the imide function is strongly puckered and adopts a half‐chair conformation. The six‐membered ring has a slightly distorted chair conformation. The molecules are joined by strong N—H?O and weak C—H?O hydrogen bonds into infinite chains. 相似文献
3.
Jos A. Fernandes Srgio M. F. Vilela Paulo J. A. Ribeiro‐Claro Filipe A. Almeida Paz 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(6):o198-o200
The asymmetric unit of the title compound, C9H9Br3, is composed of a single molecule. Two bromo substituents are located on one side of the plane of the aromatic ring and the third is on the opposite side, with the molecular unit exhibiting an approximate noncrystallographic Cs point group. The crystal structure is rich in Br...Br, CH2...Br and CH...π weak intermolecular contacts which mediate the crystal packing of individual molecules. These interactions promote a red‐shift of a handful of vibrational modes (associated with the pendant –CH2Br groups) compared with values from theoretical density functional theory (DFT) calculations. 相似文献
4.
Onur ahin Orhan Büyükgüngr Dursun Ali Kse Hacali Necefoglu 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(11):m510-m512
The title compound, [Cu(C7H5O3)2(C6H6N2O)2(H2O)2], is a two‐dimensional hydrogen‐bonded supramolecular complex. The CuII ion resides on a centre of symmetry and is in an octahedral coordination environment comprising two pyridine N atoms, two carboxylate O atoms and two O atoms from water molecules. Intermolecular N—H...O and O—H...O hydrogen bonds produce R22(4), R22(8) and R22(15) rings which lead to one‐dimensional polymeric chains. An extensive two‐dimensional network of N—H...O and O—H...O hydrogen bonds and C—H...π interactions are responsible for crystal stabilization. 相似文献
5.
Praveen K. Thallapally Gautam R. Desiraju 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):572-573
The title compound, 1,3,5‐tris(2‐cyanoethyl)‐1,3,5‐triazine‐2,4,6(1H,3H,5H)‐trione, C12H12N6O3, forms a layered structure stabilized by C—H?O and C—H?N hydrogen bonds. 相似文献
6.
Hiroyuki Hosomi Shigeru Ohba Yoshikatsu Ito 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):e260-e261
In the title two adducts, C3H12N22+·2C9H6NO4?, (I), and C6H16N22+·2C9H6NO4?, (II), hydrogen bonds between the diammonium and carboxylate ions form a two‐dimensional network parallel to the ab plane in (I) and one‐dimensional chains along the c axis in (II). The cyclohexanediammonium ion in (II) has a crystallographic twofold axis. 相似文献
7.
Jaromír Marek Pavel Kopel Zdenk Trvní
ek 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):m399-m401
The title compound, [Na(C12H8N2)3](C3H2N3S3), contains an Na+ centre which is ionicly bonded to three 1,10‐phenanthroline (phen) ligands and one trithiocyanurate(1−) (ttcH2) anion. In the crystal structure, the anions are linked via hydrogen bonds to form linear chains. The S and H atoms of the ttcH2 anion participate in intermolecular N—H⋯S hydrogen bonding, with N⋯S distances of 3.298 (2) and 3.336 (2) Å. The phen ligands are almost parallel, with dihedral angles of 3.92 (5), 11.75 (5) and 15.45 (5)°; moreover, they are nearly perpendicular to the ttcH2 chains, with angles of 81.94 (7), 85.86 (7) and 85.96 (7)°. 相似文献
8.
Daniel P. Martone Andrew W. Maverick Frank R. Fronczek 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(6):m238-m239
The title compound, [CuCl2(C7H9N)4], lies on a site of crystallographic 42 (D4) symmetry in the space group P4/nnc, and is isomorphous with the Ni and Co analogues. The Cu and Cl atoms thus lie on a fourfold axis, and the 3,5‐lutidine ligands lie on twofold axes. The Cu—Cl distance is 2.7649 (7) Å and the Cu—N distance is 2.0510 (12) Å. The space group of the Co analogue is revised from Pnnn to P4/nnc. 相似文献
9.
Kazuhiko Matsumoto Tetsuya Tsuda Toshiyuki Nohira Rika Hagiwara Yasuhiko Ito Osamu Tamada 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):m186-m187
In the title complex, (C6H11N2)3[LaCl6], centrosymmetric octahedral hexachlorolanthanate anions are located at the corners and face‐centers of the monoclinic unit cell. The ring H atoms of the cations interact with the Cl atoms of the anions via hydrogen bonding, and bifurcation of the hydrogen bonding is observed. Cation–cation interactions via hydrogen bonding between the ring H atoms and π‐electrons of aromatic rings are also observed as in other imidazolium salts. 相似文献
10.
Ferdinand Krner Markus Schürmann Hans Preut Wolfgang Kreiser 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):76-77
Esterification of a single diastereomer of 2‐(4‐methylenecyclohex‐2‐enyl)propanol, (II), with (1R,4S)‐(+)‐camphanic acid [(1R,4S)‐4,7,7‐trimethyl‐3‐oxo‐2‐oxabicyclo[2.2.1]heptane‐1‐carboxylic acid] leads to the crystalline title compound, C20H28O4. The relative configuration of the camphanate was determined by X‐ray diffraction analysis. The outcome clarifies the relative and absolute stereochemistry of the naturally occurring bisabolane sesquiterpenes β‐turmerone and β‐sesquiphellandrene, since we have converted (II) into both natural products via a stereospecific route. 相似文献
11.
Mark S. Mashuta Lionel Cheruzel Robert M. Buchanan 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(10):o629-o631
Cocrystallization of a polyimidazole compound with boric acid results in the formation of the title compound, C15H21N7·B(OH)3, which has an extensive hydrogen‐bonding network. The O?N(im) separations (im is imidazole) range from 2.6991 (15) to 2.7914 (14) Å, with O—H?N angles ranging from 170.6 (18) to 175 (2)°. In addition, symmetry‐related boric acid molecules form intermolecular hydrogen bonds, with an O?O distance of 2.7582 (14) Å, and symmetry‐related imidazole groups form π–π stacks, with a centroid‐to‐centroid separation of 3.533 Å. 相似文献
12.
Henryk Krawczyk Katarzyna Wsek Jacek Kdzia Jakub Wojciechowski Wojciech M. Wolf 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(1):o24-o26
The cyclopropane ring of the title compound, C17H16O2, shows a high level of substituent‐induced bond‐length asymmetry. The carboxyl group adopts a conformation that prompts electron‐density transfer from the ring towards the carbonyl π system. 相似文献
13.
A. Shafiee P. Shabani M. Vosooghi A. Foroumadi 《Journal of heterocyclic chemistry》2005,42(5):1011-1015
A series of substituted N‐(4‐substituted‐benzoyl)‐N‐[3‐(1‐methyl‐1H‐imidazol‐2‐yl)propyl]amines ( 13 ) and N‐arylsulfonyl‐N‐[3‐(1‐methyl‐1H‐imidazol‐2‐yl)propyl]amines ( 14 ) were prepared from the reaction of 3‐(1‐methyl‐1H‐imidazol‐2‐yl)propan‐1‐amine ( 7 ) with substituted benzoyl chloride or substituted‐benzene sulfonyl chloride respectively. Compound 7 was prepared by two independent methods. 相似文献
14.
Jacquelyn M. Burke Judith A. K. Howard Todd B. Marder Claire Wilson 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1354-1355
The title compound, C21H22P+·BCl4?, is the first structurally characterized example of the [HP(o‐tolyl)3]+ cation, presented here with BCl4? as the counter‐ion. The cation has a near‐tetrahedral P atom and the BCl4? anion is near‐tetrahedral at boron. There are no unusually short cation–anion contacts. 相似文献
15.
16.
Combining the Advantages of Tetrazoles and 1,2,3‐Triazoles: 4,5‐Bis(tetrazol‐5‐yl)‐1,2,3‐triazole, 4,5‐Bis(1‐hydroxytetrazol‐5‐yl)‐1,2,3‐triazole,and their Energetic Derivatives 下载免费PDF全文
Dr. Alexander A. Dippold Dr. Dániel Izsák Prof. Dr. Thomas M. Klapötke Carolin Pflüger 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(5):1768-1778
In the development of new energetic materials, the main challenge is the combination of high energy content with chemical and mechanical stability, two properties that are often contradictory. In this study, the syntheses and comprehensive characterizations of 4,5‐bis(tetrazole‐5‐yl)‐1,2,3‐triazole and the novel 4,5‐bis(1‐hydroxytetrazole‐5‐yl)‐1,2,3‐triazole, as well as their energetic properties, are presented, combining the advantages of the more energetic tetrazole and the more stable 1,2,3‐triazole rings. Nitrogen‐rich salts of both compounds were synthesized to investigate their detonation performances and combustion behavior calculated by computer codes for potential application in erosion‐reduced gun propellant mixtures due to their high nitrogen content. The structures of several of the compounds were studied by single‐crystal X‐ray diffraction and, especially in the case of 4,5‐bis(tetrazol‐5‐yl)‐1,2,3‐triazole, revealed the site of deprotonation. 相似文献
17.
The dimeric and centrosymmetric structure of [Zn(S2CNEt2)2(trans‐NC5H4C(H)?C(H)C5H4N)]2 shows bidentate coordination by the dithiocarbamate ligands and a distorted square pyramidal geometry for zinc, defined by a NS4 donor set with the N atom in the apical position. The compound co‐crystallises with a centrosymmetric molecule of trans‐NC5H4C(H)?C(H)C5H4N that does not form a significant interaction to the Zn atom. Copyright © 2003 John Wiley & Sons, Ltd. 相似文献
18.
Marko kof Jurij Svete Branko Stanovnik Simona Goli
‐Grdadolnik 《Helvetica chimica acta》2000,83(4):760-766
(3E,5S)‐1‐Benzoyl‐5‐[(benzoyloxy)methyl]‐3‐[(dimethylamino)methylidene]pyrrolidin‐2‐one ( 9 ) was prepared in two steps from commercially available (S)‐5‐(hydroxymethyl)pyrrolidin‐2‐one ( 7 ) (Scheme 1). Compound 9 gave, in one step, upon treatment with various C,N‐ and C,O‐1,3‐dinucleophiles 10 – 18 , the corresponding 3‐(quinolizin‐3‐yl)‐ and 3‐(2‐oxo‐2H‐pyran‐3‐yl)‐substituted (2S)‐2‐(benzoylamino)propyl benzoates 19 – 27 (Schemes 1 and 2). 相似文献
19.
20.
Cinzia Bellucci Renzo Cini 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1039-1040
The title compound, trans‐[RuIICl2(N1‐mepym)4] (mepym is 4‐methylpyrimidine, C5H6N2), obtained from the reaction of trans,cis,cis‐[RuIICl2(N1‐mepym)2(SbPh3)2] (Ph is phenyl) with excess mepym in ethanol, has fourfold crystallographic symmetry and has the four pyrimidine bases coordinated through N1 and arranged in a propeller‐like orientation. The Ru—N and Ru—Cl bond distances are 2.082 (2) and 2.400 (4) Å, respectively. The methyl group, and the N3 and Cl atoms are involved in intermolecular C—H?N and C—H?Cl hydrogen‐bond interactions. 相似文献