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1.
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
2.
Ri‐Cheng Xuan Min Xu Dong‐Ping Cheng 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m587-m589
In the title compound, [CuCl2(C9H12N2O)], the CuII atom is coordinated by two Cl− anions and two N atoms of one O‐ethyl 3‐methylpyridine‐2‐carboximidic acid molecule in a slightly distorted square‐planar geometry, with Cu—N distances of 2.0483 (17) and 1.9404 (18) Å, and Cu—Cl distances of 2.2805 (10) and 2.2275 (14) Å. In addition, each CuII atom is connected by one Cl− anion and the CuII atom from a neighbouring molecule, with Cu⋯Cl and Cu⋯Cu distances of 2.9098 (13) and 3.4022 (12) Å, respectively, and, therefore, a centrosymmetric dimer is formed. Adjacent molecular dimers are connected by π–π stacking interactions between pyridine rings to form a zigzag molecular chain. The molecular chains are also enforced by N—H⋯Cl and C—H⋯Cl interactions. 相似文献
3.
Xue‐Li Zhang Sheng‐Run Zheng Yong‐Ru Liu Xiang‐Li Zheng Cheng‐Yong Su 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):o533-o536
The tris(1H‐benzimidazol‐2‐ylmethyl)amine (ntb) molecule crystallizes in different solvent systems, resulting in two kinds of adduct, namely the monohydrate, C24H21N7·H2O or ntb·H2O, (I), and the acetonitrile–methanol–water (1/0.5/1.5) solvate, C24H21N7·C2H3N·0.5CH4O·1.5H2O or ntb·1.5H2O·0.5MeOH·MeCN, (II). In both cases, ntb adopts a tripodal mode to form hydrogen bonds with a solvent water molecule via two N—H⋯O and one O—H⋯N hydrogen bond. In (I), the ntb·H2O adduct is further assembled into a two‐dimensional network by N—H⋯N and O—H⋯N hydrogen bonds, while in (II), a double‐stranded one‐dimensional chain structure is assembled via N—H⋯O and O—H⋯O hydrogen bonds, with the acetonitrile molecules located inside the cavities of the chain structure. 相似文献
4.
Kenneth W. Muir David G. Morris Cindy Ong Woei Chii 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):m60-m62
In the title compound, hexa‐μ‐chloro‐dichlorotetrakis(N‐trimethylammonio‐p‐toluenesulfonamidate‐κ2N,O)tetramercury(II), [Hg{Me3N(+)N(−)SO2C6H4CH3‐p}Cl2]4 or [Hg4Cl8(C10H16N2O2S)4], four nearly linear and parallel Cl—Hg—Cl units associate through pairwise Hg⋯Cl interactions of 3.1–3.2 Å. Each Hg atom is also coordinated through N and O atoms to a ylide molecule. The available structural data indicate that coordination of a sulfonyl‐stabilized nitrogen ylide to a metal atom (Hg or Ag) has no detectable effect on its geometry. 相似文献
5.
Robert T. Stibrany Harvey J. Schugar Joseph A. Potenza 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o354-o357
Two of the title compounds, namely (E)‐1,2‐bis(1‐methylbenzimidazol‐2‐yl)ethene, C18H16N4, (Ib), and (E)‐1,2‐bis(1‐ethylbenzimidazol‐2‐yl)ethene, C20H20N4, (Ic), consist of centrosymmetric trans‐bis(1‐alkylbenzimidazol‐2‐yl)ethene molecules, while 3‐ethyl‐2‐[(E)‐2‐(1‐ethylbenzimidazol‐2‐yl)ethenyl]benzimidazol‐1‐ium perchlorate, C20H21N4+·ClO4−, (II), contains the monoprotonated analogue of compound (Ic). In the three structures, the benzimidazole and benzimidazolium moieties are essentially planar; the geometric parameters for the ethene linkages and their bonds to the aromatic groups are consistent with double and single bonds, respectively, implying little, if any, conjugation of the central C=C bonds with the nitrogen‐containing rings. The C—N bond lengths in the N=C—N part of the benzimidazole groups differ and are consistent with localized imine C=N and amine C—N linkages in (Ib) and (Ic); in contrast, the corresponding distances in the benzimidazolium cation are equal in (II), consistent with electron delocalization resulting from protonation of the amine N atom. Crystals of (Ib) and (Ic) contain columns of parallel molecules, which are linked by edge‐over‐edge C—H⋯π overlap. The columns are linked to one another by C—H⋯π interactions and, in the case of (Ib), C—H⋯N hydrogen bonds. Crystals of (II) contain layers of monocations linked by π–π interactions and separated by both perchlorate anions and the protruding ethyl groups; the cations and anions are linked by N—H⋯O hydrogen bonds. 相似文献
6.
Manfredo Hrner Ivan Carlos Casagrande Herton Fenner Jrg Daniels Johannes Beck 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):m424-m426
In the title complex, [Au(C12H8N5O4)(C18H15P)], the coordination geometry about the AuI ion is linear, with one deprotonated 1,3‐bis(4‐nitrophenyl)triazenide ion, [O2NC6H4N=N–NC6H4NO2]−, acting as a monodentate ligand (two‐electron donor), and one neutral triphenylphosphine molecule completing the metal coordination. The triazenide ligand is almost planar (r.m.s. deviation = 0.0767 Å), with the largest interplanar angle being 11.6 (7)° between the phenyl ring of one of the terminal 4‐nitrophenyl substituents and the plane defined by the N=N—N triad. The Au—N and Au—P distances are 2.108 (5) and 2.2524 (13) Å, respectively. Pairs of molecules generated by centrosymmetry are associated into a supramolecular array via intermolecular C—H⋯O interactions, and N⋯C and N⋯O π–π interactions. 相似文献
7.
Huub Kooijman Anthony L. Spek Gerard A. van Albada Patrick Gamez Jan Reedijk 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):m51-m54
In the crystal structure of [Cu(CF3SO3)(C2N3)(C8H7N5)2]·0.5C2H6O, the CuII atom adopts a distorted octahedral geometry, with the basal plane formed by two N atoms of one dipyrimidinylamine ligand, one N atom of the second pyrimidine ligand and a nitrile N atom of the dicyanamide anion [Cu—N = 1.972 (2)–2.021 (2) Å]. The apical positions are occupied by an N atom of the second ligand [Cu—N = 2.208 (2) Å], and an O atom of the trifluoromethanesulfonate anion [Cu—O = 2.747 (2) Å] at a semi‐coordination distance. Pairs of inversion‐related N—H⋯N hydrogen bonds of the so‐called Watson–Crick type, augmented by two C—H⋯N contacts, link adjacent complexes into an infinite one‐dimensional chain running in the [101] direction. 相似文献
8.
Shan Gao Ji‐Wei Liu Li‐Hua Huo Hui Zhao Jing‐Gui Zhao 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):m537-m539
In the title two‐dimensional coordination polymer, [Mn(1,4‐BDOA)(4,4‐bipy)(H2O)2]n [1,4‐BDOA2− is the p‐phenylenedioxydiacetate dianion (C10H8O6) and 4,4‐bipy is 4,4‐bipyridine (C10H8N2)], each MnII atom displays octahedral coordination by two O atoms of the 1,4‐BDOA2− groups, two N atoms of the 4,4‐bipy ligands and two solvent water molecules. The MnII atom, 4,4‐bipy ligand and 1,4‐BDOA2− group occupy different inversion centres. Adjacent MnII atoms are bridged by 1,4‐BDOA2− groups and 4,4‐bipy ligands, forming a two‐dimensional network with Mn⋯Mn separations of 11.592 (2) and 11.699 (2) Å. Hydrogen bonds from a water O—H group link the layers in the third dimension. 相似文献
9.
Pernille Harris Pauli Kofod Yong Sheng Song Erik Larsen 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(2):m58-m60
In the title compound, [Co(C6H15N3)(C7H15N2S)]S2O6·H2O, the Co—C bond distance is 1.9930 (13) Å, which is shorter than for related compounds with the linear 1,6‐diamino‐3‐thiahexan‐4‐ide anion in place of the macrocyclic 1‐thia‐4,7‐diazacyclodecan‐8‐ide anion. The coordinated carbanion produces an elongation of 0.102 (7) Å of the Co—N bond to the 1,4,7‐triazacyclononane N atom in the trans position. This relatively small trans influence is presumably a result of the triamine ligand forming strong bonds to the CoIII atom. 相似文献
10.
Ahmet Bulut brahim Uar Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):m218-m220
The asymmetric unit of the title compound, {[Cu(C4O4)(C6H6N2O)2(H2O)2]·2H2O}n, consists of one pyridine‐4‐carboxamide (isonicotinamide or ina) ligand, one‐half of a squarate dianion, a coordinated aqua ligand and a solvent water molecule. Both the CuII and the squarate ions are located on inversion centers. The CuII ions are octahedrally surrounded by four O atoms of two water molecules and two squarate anions, and by two N atoms of the isonicotinamide ligands. The crystal structure contains chains of squarate‐1,3‐bridged CuII ions. These chains are held together by N—H⋯O and O—H⋯O intermolecular hydrogen‐bond interactions, forming an extensive three‐dimensional network. 相似文献
11.
Sheng‐Run Zheng Yue‐Peng Cai Xue‐Li Zhang Cheng‐Yong Su 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):o642-o644
The title compound, C16H16N5+·Cl− (nbbH+·Cl−), displays N—H⋯N, N—H⋯Cl and π–π interactions in the crystal packing. The Cl− anion is chelated by the nbbH+ cation via two N—H⋯Cl hydrogen bonds. Inter‐ion N—H⋯N and N—H⋯Cl hydrogen bonds link ions related by 21 screw axes into chains along the c axis. These chains are further linked by glide‐plane operations to generate a three‐dimensional network, which is additionally stabilized by interchain π–π interactions. 相似文献
12.
Shan Gao Ji‐Wei Liu Li‐Hua Huo Zhi‐Zhong Sun Jin‐Sheng Gao Seik Weng Ng 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m363-m365
In the title neutral coordination polymer, [Cd(C6H3ClNO2)2(H2O)2]n, each CdII ion is coordinated by one N and four O atoms from three 2‐chloronicotinate ligands and by two aqua ligands, defining a distorted monocapped octahedral coordination geometry. Adjacent Cd atoms are linked by the pyridyl N atom and the bidentate carboxylate functional group of a 2‐chloronicotinate ligand, forming a one‐dimensional infinite chain along the b axis. The Cd⋯Cd distance is 8.112 (3) Å. These chains are linked by O—H⋯O and O—H⋯N hydrogen bonds into a three‐dimensional network structure. 相似文献
13.
Jaromír Marek Pavel Kopel Zdenk Trvní
ek 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m558-m560
In the crystal structure of the title compound, [N,N′‐bis(3‐aminopropyl)ethylenediamine‐κ4N,N′,N′′,N′′′][1,3,5‐triazine‐2,4,6(1H,3H,5H)‐trithionato(2−)‐κ2N,S]zinc(II) ethanol solvate, [Zn(C8H22N4)2(C3HN3S3)]·C2H6O, the ZnII atom is octahedrally coordinated by four N atoms [Zn—N = 2.104 (2)–2.203 (2) Å] of a tetradentate N‐donor N,N′‐bis(3‐aminopropyl)ethylenediamine (bapen) ligand and by two S and N atoms [Zn—S = 2.5700 (7) Å and Zn—N = 2.313 (2) Å] of a trithiocyanurate(2−) (ttcH2−) dianion bonded as a bidentate ligand in a cis configuration. The crystal structure of the compound is stabilized by a network of hydrogen bonds. 相似文献
14.
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
15.
Alexander V. Pestov Eugenia V. Peresypkina Alexander V. Virovets Nina V. Podberezskaya Yury G. Yatluk Yury A. Skorik 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):m510-m512
The CuII ion in the title complex, [Cu(C5H10NO3)2] or [Cu(He‐ala)2] [He‐ala = N‐(2‐hydroxyethyl)‐β‐alaninate], resides at the inversion centre of a square bipyramid comprised of two facially arranged tridentate He‐ala ligands. Each He‐ala ligand binds to a CuII ion by forming one six‐membered β‐alaninate chelate ring in a twist conformation and one five‐membered ethanolamine ring in an envelope conformation, with Cu—N = 2.017 (2) Å, Cu—OCOO = 1.968 (1) Å and Cu—OOH = 2.473 (2) Å. The [Cu(He‐ala)2] molecules are involved in a network of O—H⋯O and N—H⋯O hydrogen bonds, forming layers parallel to the (10) plane. The layers are connected into a three‐dimensional structure by van der Waals interactions, so that the molecular centres form pseudo‐face‐centered close packing. 相似文献
16.
Sung‐Nak Choi Sang‐Yub Kim Hae‐Wook Ryu Yong‐Min Lee 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):m504-m506
In the title compound, [HgCl2(C15H26N2)], the chiral alkaloid (6R,7S,8S,14S)‐(−)‐l ‐sparteine acts as a bidentate ligand, with two Cl− ligands occupying the remaining coordination sites, producing a distorted tetrahedron. The N—Hg—N plane is twisted by 81.1 (2)° from the Cl—Hg—Cl plane. The mid‐point of the N⋯N line does not lie exactly on the Cl—Hg—Cl plane but is tilted towards one of the N atoms by 0.346 Å. Similarly, the mid‐point of the Cl⋯Cl line is tilted toward one of the Cl atoms by 0.163 Å. The packing structure shows that the complex is stabilized by two interatomic Cl⋯H contacts involving both Cl atoms and the methylene or methine H atoms of the (−)‐sparteine ligand. 相似文献
17.
Onur ahin Orhan Büyükgüngr Dursun Ali Kse Birgül Zümreoglu‐Karan Hacali Necefoglu 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):m513-m515
The CoII ion in the title complex {[Co(C5H2N2O4)(H2O)3]·1.72H2O}n, has a distorted octahedral coordination geometry comprised of three water ligands, one deprotonated pyrimidine N atom and an adjacent carboxylate O atom of one orotate ligand. The sixth coordination site is occupied by an exocyclic O atom from a neighbouring orotate moiety, and through this interaction a helicoidal chain is formed. The molecules are linked by intramolecular Owater—H⋯O and intermolecular N—H⋯O and Owater—H⋯O hydrogen bonds, forming a three‐dimensional network. 相似文献
18.
Frank J. Feher Richard K. Baldwin Joseph W. Ziller 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):633-634
The crystal structure of the title complex, (η6‐hexamethylbenzene)bis(trifluoromethanesulfonato‐O)(2,4,6‐trimethylaniline‐N)ruthenium(II), [Ru(CF3O3S)2(C12H18)(C9H13N)], is described. The complex has the classic three‐legged piano‐stool structure with a planar arene 1.667 Å from the metal, two monodentate O‐bound trifluoromethanesulfonate ligands [Ru—O 2.169 (2) and 2.174 (2) Å] and one N‐bound mesidine ligand [Ru—N 2.198 (2) Å]. The Ru—N distance is relatively long and the average Ru—O distance is relatively short when compared with previously characterized RuII complexes. 相似文献
19.
Hong‐Xi Li Yong Zang Mei‐Ling Cheng Jian‐Ping Lang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):m74-m77
The Zn atom in dichloro[(3,5‐dimethyl‐1H‐pyrazol‐1‐yl)methane]zinc(II), [ZnCl2(C11H16N4)], (I), is tetrahedrally coordinated by two N atoms from one bis(3,5‐dimethylpyrazolyl)methane ligand and two terminal Cl atoms. The molecule has no crystallographic symmetry. One H atom of the CH2 group of the bis(3,5‐dimethylpyrazolyl)methane ligand interacts with a Cl atom of an adjacent molecule to yield intermolecular C—H⋯Cl contacts, thereby forming a one‐dimensional zigzag chain extending along the b axis. On the other hand, in di‐μ‐chloro‐bis{chloro[(3,5‐dimethyl‐1H‐pyrazol‐1‐yl)methane]cadmium(II)}, [Cd2Cl4(C11H16N4)2], (II), each of the two crystallographically equivalent Cd atoms is pentacoordinated by two N atoms from one bis(3,5‐dimethylpyrazolyl)methane ligand, and by one terminal and two bridging Cl− anions. The molecule has a crystallographic centre of symmetry located at the mid‐point of the Cd⋯Cd line. One H atom of the CH2 group of the bis(3,5‐dimethylpyrazolyl)methane ligand interacts with a Cl atom of an adjacent molecule to produce pairwise intermolecular C—H⋯Cl contacts, thereby affording chains of molecules running along the c axis. 相似文献
20.
Jacek Zaleski Grzegorz Spaleniak Janusz B. Kyzio 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o627-o629
The geometries of the thiazole ring and the nitramino groups in N‐(3H‐thiazol‐2‐ylidene)nitramine, C3H3N3O2S, (I), and N‐methyl‐N‐(thiazol‐2‐yl)nitramine, C4H5N3O2S, (II), are very similar. The nitramine group in (II) is planar and twisted along the C—N bond with respect to the thiazole ring. In both structures, the asymmetric unit includes two practically equal molecules. In (I), the molecules are arranged in layers connected to each other by N—H⋯N and much weaker C—H⋯O hydrogen bonds. In the crystal structure of (II), the molecules are arranged in layers bound to each other by both weak C—H⋯O hydrogen bonds and S⋯O dipolar interactions. 相似文献