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1.
Hiroyuki Hosomi Shigeru Ohba Yoshikatsu Ito 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):e147-e148
In the two title compounds, N‐methylcarbazole–3,5‐dinitrobenzonitrile (1/1), C13H11N·C7H3N3O4, (I), and N‐ethylcarbazole–3,5‐dinitrobenzonitrile (1/1), C14H13N·C7H3N3O4, (II), the donor and acceptor molecules are stacked alternately to form one‐dimensional columns. In (I), the N‐methyl group of the donor is nearly eclipsed with respect to one of the nitro groups of the neighboring acceptor in a column, whereas the N‐ethyl group is anti with respect to the cyano group of the neighboring acceptor in (II). 相似文献
2.
Claude Didierjean Julien Marin Emmanuel Wenger Jean‐Paul Briand Andr Aubry Gilles Guichard 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o200-o203
X‐ray studies reveal that tert‐butyl (6S)‐6‐isobutyl‐2,4‐dioxopiperidine‐1‐carboxylate occurs in the 4‐enol form, viz. tert‐butyl (6S)‐4‐hydroxy‐6‐isobutyl‐2‐oxo‐1,2,5,6‐tetrahydropyridine‐1‐carboxylate, C14H23NO4, when crystals are grown from a mixture of dichloromethane and pentane, and has an axial orientation of the isobutyl side chain at the 6‐position of the piperidine ring. Reduction of the keto functionality leads predominantly to the corresponding β‐hydroxylated δ‐lactam, tert‐butyl (4R,6S)‐4‐hydroxy‐6‐isobutyl‐2‐oxopiperidine‐1‐carboxylate, C14H25NO4, with a cis configuration of the 4‐hydroxy and 6‐isobutyl groups. The two compounds show similar molecular packing driven by strong O—H⋯O=C hydrogen bonds, leading to infinite chains in the crystal structure. 相似文献
3.
J. Zukerman‐Schpector Mauricio Vega I. Caracelli Luiz C. Dias Anna M. A. P. Fernandes 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1089-1091
In 6‐methyl‐N‐(4‐nitrobenzoyl)‐5,6‐dihydropyridin‐2(1H)‐one, C13H12N2O4, (I), the piperidone ring is in a distorted half‐chair conformation. In 8‐methoxy‐3‐methyl‐N‐(4‐nitrobenzoyl)‐1,2,3,4,5,6,7,8‐octahydroisoquinoline‐1,6‐dione, C18H20N2O6, (II), the heterocyclic ring is in a slightly distorted half‐boat conformation, while the other six‐membered ring is in a distorted chair conformation. Compound (II) presents a strong intramolecular C—H?O hydrogen bond. In both (I) and (II), the molecules interact through C—H?O interactions. 相似文献
4.
《Acta Crystallographica. Section C, Structural Chemistry》2018,74(1):21-30
Doubly and triply hydrogen‐bonded supramolecular synthons are of particular interest for the rational design of crystal and cocrystal structures in crystal engineering since they show a high robustness due to their high stability and good reliability. The compound 5‐methyl‐2‐thiouracil (2‐thiothymine) contains an ADA hydrogen‐bonding site (A = acceptor and D = donor) if the S atom is considered as an acceptor. We report herein the results of cocrystallization experiments with the coformers 2,4‐diaminopyrimidine, 2,4‐diamino‐6‐phenyl‐1,3,5‐triazine, 6‐amino‐3H‐isocytosine and melamine, which contain complementary DAD hydrogen‐bonding sites and, therefore, should be capable of forming a mixed ADA–DAD N—H…S/N—H…N/N—H…O synthon (denoted synthon 3sN·S;N·N;N·O), consisting of three different hydrogen bonds with 5‐methyl‐2‐thiouracil. The experiments yielded one cocrystal and five solvated cocrystals, namely 5‐methyl‐2‐thiouracil–2,4‐diaminopyrimidine (1/2), C5H6N2OS·2C4H6N4, (I), 5‐methyl‐2‐thiouracil–2,4‐diaminopyrimidine–N,N‐dimethylformamide (2/2/1), 2C5H6N2OS·2C4H6N4·C3H7NO, (II), 5‐methyl‐2‐thiouracil–2,4‐diamino‐6‐phenyl‐1,3,5‐triazine–N,N‐dimethylformamide (2/2/1), 2C5H6N2OS·2C9H9N5·C3H7NO, (III), 5‐methyl‐2‐thiouracil–6‐amino‐3H‐isocytosine–N,N‐dimethylformamide (2/2/1), (IV), 2C5H6N2OS·2C4H6N4O·C3H7NO, (IV), 5‐methyl‐2‐thiouracil–6‐amino‐3H‐isocytosine–N,N‐dimethylacetamide (2/2/1), 2C5H6N2OS·2C4H6N4O·C4H9NO, (V), and 5‐methyl‐2‐thiouracil–melamine (3/2), 3C5H6N2OS·2C3H6N6, (VI). Synthon 3sN·S;N·N;N·O was formed in three structures in which two‐dimensional hydrogen‐bonded networks are observed, while doubly hydrogen‐bonded interactions were formed instead in the remaining three cocrystals whereby three‐dimensional networks are preferred. As desired, the S atoms are involved in hydrogen‐bonding interactions in all six structures, thus illustrating the ability of sulfur to act as a hydrogen‐bond acceptor and, therefore, its value for application in crystal engineering. 相似文献
5.
Jiang‐Lin Fang Wei Huang Suchada Chantrapromma S. Shanmuga Sundara Raj Ibrahim Abdul Razak Hoong‐Kun Fun Shao‐Hua Gou Hong‐Sen Wang 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1429-1430
A donor–acceptor compound, diaqua‐1κO,2κO‐[μ‐11,23‐dimethyl‐3,7,15,19‐tetraazatricyclo[19.3.1.19,13]hexacosa‐1(25),2,7,9,11,13(26),14,19,21,23‐decaene‐25,26‐diolato‐1κ4N3,N7,O25,O26:2κ4N15,N19,O25,O26]dizinc(II) diperchlorate bis(8‐methylquinoline) ethanol disolvate, [Zn2(C24H26N4O2)(H2O)2](ClO4)2·2C10H9N·2C2H6O, obtained by the reaction of a dinuclear zinc(II) complex of a Robson macrocycle (acceptor) and 8‐methylquinoline (donor), lies about an inversion centre and the coordination about the unique Zn atom is a distorted square pyramid. The fifth coordination site is occupied by the water molecule, Zn—O = 2.016 (2) Å, and the average macrocyclic Zn—O and Zn—N distances are 2.059 (6) and 2.059 (3) Å, respectively. 相似文献
6.
Amen Allah Hajem Basma Trojette Ahmed Driss Tahar Jouini 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):793-794
The title compound, N,N,N′,N′‐tetramethylethylenediammonium diaqua(arsenate)(hydrogen arsenate)dizinc(II), (C6H18N2)0.5[Zn2(AsO4)(HAsO4)(H2O)2], is a new zincoarsenate obtained by hydrothermal synthesis. The structure consists of infinite two‐dimensional anionic layers alternating with planes containing centrosymmetric organic diprotonated template N,N,N′,N′‐tetramethylethylenediammonium cations, [H3NC6H12NH3]2+. The latter are interconnected to the framework through hydrogen bonds. 相似文献
7.
Russell G. Baughman Kenneth L. Martin Rajendra K. Singh James O. Stoffer 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o103-o106
In 2,4‐dihydroxybenzaldehyde 2,4‐dinitrophenylhydrazone N,N‐dimethylformamide solvate {or 4‐[(2,4‐dinitrophenyl)hydrazonomethyl]benzene‐1,3‐diol N,N‐dimethylformamide solvate}, C13H10N4O6·C3H7NO, (X), 2,4‐dihydroxyacetophenone 2,4‐dinitrophenylhydrazone N,N‐dimethylformamide solvate (or 4‐{1‐[(2,4‐dinitrophenyl)hydrazono]ethyl}benzene‐1,3‐diol N,N‐dimethylformamide solvate), C14H12N4O6·C3H7NO, (XI), and 2,4‐dihydroxybenzophenone 2,4‐dinitrophenylhydrazone N,N‐dimethylacetamide solvate (or 4‐{[(2,4‐dinitrophenyl)hydrazono]phenylmethyl}benzene‐1,3‐diol N,N‐dimethylacetamide solvate), C19H14N4O6·C4H9NO, (XII), the molecules all lack a center of symmetry, crystallize in centrosymmetric space groups and have been observed to exhibit non‐linear optical activity. In each case, the hydrazone skeleton is fairly planar, facilitated by the presence of two intramolecular hydrogen bonds and some partial N—N double‐bond character. Each molecule is hydrogen bonded to one solvent molecule. 相似文献
8.
Zun‐Ting Zhang Xin‐Li Cheng Yun He 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):m484-m487
In methylaminium 4′,7‐dihydroxyisoflavone‐3′‐sulfonate dihydrate, CH6N+·C15H9O7S−·2H2O, 11 hydrogen bonds exist between the methylaminium cations, the isoflavone‐3′‐sulfonate anions and the solvent water molecules. In hexaaquairon(II) bis(4′,7‐diethoxyisoflavone‐3′‐sulfonate) tetrahydrate, [Fe(H2O)6](C19H17O7S)2·4H2O, 12 hydrogen bonds exist between the centrosymmetric [Fe(H2O)6]2+ cation, the isoflavone‐3′‐sulfonate anions and the solvent water molecules. Additional π–π stacking interactions generate three‐dimensional supramolecular structures in both compounds. 相似文献
9.
Markus Pietsch Martin Nieger Michael Gütschow 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):o147-o151
The title compounds, tert‐butyl 6‐benzyl‐2‐(3,3‐diethylureido)‐4,5,6,7‐tetrahydrothieno[2,3‐c]pyridine‐3‐carboxylate, C24H33N3O3S, (I), 7‐benzyl‐2‐diethylamino‐5,6,7,8‐tetrahydro‐3‐oxa‐9‐thia‐1,7‐diazafluoren‐4‐one, C20H23N3O2S, (II), and N‐(7‐benzyl‐4‐oxo‐5,6,7,8‐tetrahydro‐4H‐3,9‐dithia‐1,7‐diazafluoren‐2‐yl)benzamide, C23H19N3O2S2, (III), form monoclinic crystal systems. In (I) and (II), the molecules are linked into a three‐dimensional framework by weak intermolecular C—H⋯O=C hydrogen bonds, whereas in (III) stronger intermolecular N—H⋯O=C interactions are observed. The conformation of (I) is further stabilized by an intramolecular N—H⋯O=C hydrogen bond, which effects the planarity of the ureidothiophenecarboxylate moiety. 相似文献
10.
Veysel T. Yilmaz Ahmet Karadag Carsten Thne Regine Herbst‐Irmer 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):948-949
In the neutral title complex, trans‐bis(2,2′‐iminodiethanol‐N,O)bis(isothiocyanato)nickel(II), [Ni(NCS)2(C4H11NO2)2], the isothiocyanate ions and the diethanolamine molecules act as monodentate and bidentate ligands, respectively. The NiII ion exhibits a distorted octahedral configuration with crystallographically imposed inversion symmetry and NNCS—Ni—Namine and NNCS—Ni—Oamine bond angles of 88.78 (10) and 89.44 (10)°, respectively. The Ni—N bond distances are in the range 2.069 (3)–2.096 (2) Å. The molecules are linked by hydrogen bonds to form a three‐dimensional infinite lattice. 相似文献
11.
Andrei S. Batsanov 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):e269-e270
The molecule of 3,5‐difluoro‐4‐nitropyridine N‐oxide, C5H2F2N2O3, is twisted around the C—NO2 bond by 38.5 (1)°, while the 3,5‐diamino analogue, 3,5‐diamino‐4‐nitropyridine N‐oxide monohydrate, C5H6N4O3·H2O, adopts a planar conformation stabilized by intramolecular hydrogen bonds, with a significant redistribution of π electrons. 相似文献
12.
Daisuke Hashizume Masataka Iegaki Masanori Yasui Fujiko Iwasaki Jiben Meng Zhong Wen Teruo Matsuura 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1067-1072
Five two‐component molecular crystals, benzimidazolium 3‐nitrobenzoate, C7H7N2+·C7H4NO4?, (I), benzimidazolium 4‐nitrobenzoate, C7H7N2+·C7H4NO4?, (II), 1H‐benzotriazole–3‐nitrobenzoic acid (1/1), C6H5N3·C7H5NO4, (III), imidazolium 3‐nitrobenzoate, C3H5N2+·C7H4NO4?, (IV), and imidazolium 4‐nitrobenzoate, C3H5N2+·C7H4NO4?, (V), were prepared with the aim of making chiral crystals. Only (I) crystallizes in a chiral space group. The molecules of (I) and (II) are linked by hydrogen bonds to form 21 spiral chains. In (III), (IV) and (V), macrocyclic structures are formed from two acid and two base components, by an alternate arrangement of the acid and base moieties. 相似文献
13.
Dorcas M. M. Farrell George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o6-o8
In the hydrated adduct N,N′‐dimethylpiperazine‐1,4‐diium bis(3‐carboxy‐2,3‐dihydroxypropanoate) dihydrate, [MeNH(CH2CH2)2NHMe]2+·2(C4H5O6)?·2H2O or C6H16N22+·2C4H5O6?·2H2O, formed between racemic tartaric acid and N,N′‐dimethylpiperazine (triclinic P, Z′ = 0.5), the cations lie across centres of inversion. The anions alone form chains, and anions and water molecules together form sheets; the sheets are linked by the cations to form a pillared‐layer framework. The supramolecular architecture thus takes the form of a family of N‐dimensional N‐component structures having N = 1, 2 or 3. 相似文献
14.
Andrzej Gzella Danuta Brzda ukasz Koroniak Maria D. Rozwadowska 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):o503-o506
In the two title optically active tetrahydroisoquinoline derivatives, namely 3‐hydroxymethyl‐4‐phenyl‐1,2,3,4‐tetrahydroisoquinolin‐2‐ium bromide methanol hemisolvate, C16H18NO+·Br?·0.5CH3OH, (IIb), and 2‐formyl‐3‐hydroxymethyl‐4‐phenyl‐1,2,3,4‐tetrahydroisoquinoline, C17H17NO2, (III), the absolute configurations have been confirmed as 3R,4R by structure refinement using Bijvoet‐pair reflections. The hydroxymethyl and phenyl groups in (IIb) are oriented in equatorial and pseudo‐equatorial positions, respectively, whereas in (III), the corresponding groups are in axial and pseudo‐axial positions, respectively; the hydroxymethyl and phenyl groups are trans with respect to one another in both structures. The heterocyclic rings in (IIb) and (III) adopt envelope conformations inverted with respect to each other. In both structures, the molecules are linked through hydrogen bonds. 相似文献
15.
Satyen Saha 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o174-o177
The crystal structures of three 4‐amino derivatives of 7‐nitro‐2,1,3‐benzoxadiazole with increasing substituent ring size, viz. 7‐nitro‐4‐(pyrrolidin‐1‐yl)‐2,1,3‐benzoxadiazole, C10H10N4O3, 7‐nitro‐4‐(piperidin‐1‐yl)‐2,1,3‐benzoxadiazole, C11H12N4O3, and 4‐(azepan‐1‐yl)‐7‐nitro‐2,1,3‐benzoxadiazole, C12H14N4O3, have been determined in order to understand their photophysical behaviour. All three were found to crystallize in centrosymmetric space groups. There is considerable electron delocalization compared with the parent compound, although the five‐membered oxadiazole ring apparently does not participate in this. The length of the C—N bond between the amino N atom and the 7‐nitrobenzoxadiazole system is found to be shorter than in similar compounds, as is the C—Nnitro bond. In each structure, the nitro group lies in the plane of the benzoxadiazole unit. 相似文献
16.
Young Ho Jhon Jaheon Kim 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):m334-m336
The title compound, {[Zn(C8H4O5)(C3H7NO)2]·0.5C7H8}n, is a one‐dimensional coordination polymer in which the Zn atoms are linked by bridging 5‐hydroxybenzene‐1,3‐dicarboxylate ligands. These polymeric chains form two‐dimensional sheets via interchain hydrogen bonds, and these sheets, in turn, are stacked tightly with solvent toluene molecules in the interlayer space. The N,N′‐dimethylformamide ligands, coordinated axially to the Zn atoms, form van der Waals contacts with ligands in neighboring sheets, and enclose the guest molecules. 相似文献
17.
Vijay Mahadevan Iyer Helen Stoeckli‐Evans Anthony D'Alo Luisa De Cola Peter Belser 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):o259-o261
Structure analyses of 4,4′‐bis(4‐hydroxybutyl)‐2,2′‐bipyridine, C18H24N2O2, (I), and 4,4′‐bis(4‐bromobutyl)‐2,2′‐bipyridine, C18H22Br2N2, (II), reveal intermolecular hydrogen bonding in both compounds. For (I), O—H·N intermolecular hydrogen bonding leads to the formation of an infinite two‐dimensional polymer, and π stacking interactions are also observed. For (II), C—H·N intermolecular hydrogen bonding leads to the formation of a zigzag polymer. The two compounds crystallize in different crystal systems, but both molecules possess Ci symmetry, with one half molecule in the asymmetric unit. 相似文献
18.
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
19.
Maria Gdaniec Igor Bensemann Tadeusz Pooski 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):o735-o738
The 1:1 complexes N,N′‐bis(2‐pyridyl)benzene‐1,4‐diamine–anilic acid (2,5‐dihydroxy‐1,4‐benzoquinone) (1/1), C16H14N4·C6H4O4, (I), and N,N′‐bis(2‐pyridyl)biphenyl‐4,4′‐diamine–anilic acid (1/1), C22H18N4·C6H4O4, (II), have been prepared and their solid‐state structures investigated. The component molecules of these complexes are connected via conventional N—H?O and O—H?N hydrogen bonds, leading to the formation of an infinite one‐dimensional network generated by the cyclic motif R(9). The anilic acid molecules in both crystal structures lie around inversion centres and the observed bond lengths are typical for the neutral molecule. Nevertheless, the pyridine C—N—C angles [120.9 (2) and 120.13 (17)° for complexes (I) and (II), respectively] point to a partial H‐atom transfer from anilic aicd to the bispyridylamine, and hence to H‐atom disorder in the OHN bridge. The bispyridylamine molecules of (I) and (II) also lie around inversion centres and exhibit disorder of their central phenyl rings over two positions. 相似文献
20.
Li‐Ping Lu Hong‐Mei Zhang Si‐Si Feng Miao‐Li Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):o740-o743
The crystal structures of N,N‐dimethylbiguanidium oxalate monohydrate, C4H13N52+·C2O42−·H2O, (I), and N,N‐dimethylbiguanidium sulfate monohydrate, C4H13N52+·SO42−·H2O, (II), show that both compounds contain the same N,N‐dimethylbiguanidium dication. In (I), two independent oxalate ions lie about inversion centres. Strong double hydrogen bonds, with D⋯A distances of 2.658 (2) and 2.830 (3) Å in (I), and 2.722 (3) and 2.815 (3) Å in (II), are present between N atoms of the N,N‐dimethylbiguanidium moieties and either the carboxylate group of the oxalate anion or the sulfate anion. 相似文献