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1.
Joana A. Silva Ana C. Santos Ana T. Marques Manuela Ramos Silva Ana Matos Beja Abílio J. F. N. Sobral 《Journal of chemical crystallography》2008,38(4):301-303
Abstract A new pyrazine compound, has been synthesised and characterised by single-crystal X-ray diffraction: monoclinic, P21/c with a = 11.0707(3) ?, b = 5.23700(10) ?, c = 16.6997(5) ?, β = 103.5385(16)°, Mr = 376.40, V = 941.30(4) ?3, Z = 2. Each molecule possesses C
i
symmetry with the two halves of the molecule related by an inversion centre. C–H···π and C=O···π interactions held the molecules
together.
Index Abstract C–H···π and C=O···π intermolecular interactions in dibenzyl-3,6-dimethylpyrazine-2,5-dicarboxylate
Joana A. Silva, Ana C. Santos, Ana T. Marques, Manuela Ramos Silva, Ana Matos Beja, Abílio J. F. N. Sobrala
In dibenzyl-3,6-dimethylpyrazine-2,5-dicarboxylate, each molecule possesses C
i
symmetry. The molecules are assembled in chains via carbonyl···π interactions.
Electronic supplementary material The online version of this article (doi: ) contains supplementary material, which is available to authorized users. 相似文献
2.
M. Ramos Silva A. J. F. N. Sobral J. A. Silva A. C. Santos S. M. Melo A. Matos Beja 《Journal of chemical crystallography》2007,37(10):695-698
Abstract A new substituted pyrrole, a precursor of meso-free-porphyrins, has been synthesised and characterised by single-crystal X-ray
diffraction: monoclinic, P21/c with a = 14.607(9) ?, b = 5.136(2) ?, c = 25.832(17) ?, β = 108.14(5)°, Mr = 349.41, V = 1841.6(18) ?3, Z = 4. The molecules are assembled in centrosymmetric dimers via strong N–H...O hydrogen bonds. The dimers are gathered
into chains via C–H...π intermolecular interactions.
Graphical abstract The molecules in 4-benzyl-5-methoxymethyl-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester are joined in dimmers by strong
hydrogen bonds. The dimmers are aggregated in chains running along the b axis through C-H...?€ intermoleculear interactions.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
3.
Poonam Kaushik Dejan-Krešimir Bučar Leonard R. MacGillivray 《Journal of chemical crystallography》2007,37(10):713-715
Abstract The crystal and molecular structure of trans-1,2-bis(2-benzothiazolyl)ethene is reported. Crystal data for 1: monoclinic, space group C 2/c, a = 24.926(3) ?, b = 4.843(1) ?, c = 11.164(1) ?, β = 105.274(5) °, V = 1300.0(3) ?3, and D
c
= 1.50 g/cm3 for Z = 4 and R = 0.028. The molecule crystallizes in the form of a colorless plate and forms one-dimensional slipped π-stacks.
Graphical Abstract The title compound crystallizes to form 1D slipped π-stacks in the solid state.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
4.
Abstract Two apigenin alkylation derivatives, 4′,7-dimethoxyl-5-hydroxyflavone (I) and 4′,7-diethoxyl-5-hydroxyflavone (II), have been
synthesized and their crystal structures were determined by 1H NMR and single crystal X-ray diffraction study. (I) is triclinic, space group P−1 with a = 7.120(5) ?, b = 7.297(5) ?, c = 13.559(10) ?, α = 89.313(12)°, β = 86.298(12)°, γ = 83.999(13)° and Z = 2. (II) is monoclinic, space group P 21
/c with a = 16. 309(4) ?, b = 7.303(2) ?, c = 15.185(4) ?, α = 90.00°, β = 115.70(2)°, γ = 90.00° and Z = 4. They have the same flavone skeleton which is composed of a benzopyranone moiety and a phenyl moiety. Molecules of (I)
are linked into a two-dimensional network by a combination of C–H···O hydrogen bond and π–π stacking interactions. (II) shows
some discrepancies with (I) and the molecules are linked into a column by π–π stacking interaction.
Graphical Abstract Two apigenin alkylation derivatives, 4′,7-dimethoxyl-5-hydroxyflavone (I) and 4′,7-diethoxyl-5-hydroxyflavone (II) were synthesized
and their crystal structures were determined by single-crystal X-ray diffraction. Hydrogen bonding and π–π stacking interactions
assemble (I) into a two-dimensional network, and in the crystal structure of (II), π–π stacking interaction leads to the formation
of a column.
相似文献
5.
Abstract A single crystal structure determination of the complex (4,4′-bipyridinium)[CdBr4]
n
, [henceforth (I)], has been carried out. It crystallizes in the monoclinic space group C2/c, with the following cell parameters: a = 16.119(3) ?, b = 13.206(3) ?, c = 7.2601(15) ?, β = 115.62°, V = 1393.5(6) ?3, with Z = 4 formula units. The polymeric anion forms an infinite zig-zag chain of edge-sharing octahedra along c, with a distorted octahedral stereochemistry around Cd. There are N–H···Br [Br2···N1 of 3.386(13) ? and Br1···N1 of 3.363(13) ?]
and C–H···Br [Br2···C5 of 3.552(16) ?] hydrogen bonding interactions, tying the CdBr chains to the cations to form 2D-network.
The resulting 2D-networks are further linked by aryl···aryl (π···π) interactions within the cationic chains leading to a 3D-network.
Index Abstract Three dimensional network polymeric structure of (4,4′-bipyridinium)[CdBr4]
n
: Supramolecular motifs and crystal supramolecularity.
Rawhi Al-Far and Basem F. Ali
The polymeric anion consists of a zig–zag chain of distorted edge shared octahedra run along c axis. The protonated cation bridges the anion chains through N–H···Br and C–H···Br into a supramolecular array.
相似文献
6.
Yonghong Liu Xiangqian Dai Xiaolan Liu Wei Xu Rong Guo 《Journal of chemical crystallography》2008,38(2):109-113
Abstract The title compound, 2-Ferrocenylmethylidenehydrazono-1,3-dithiolane was synthesized by ferrocene- carboxaldehyde with 2-hydrazono-1,3-dithiolane
and characterized by elemental analysis, 1H NMR, IR, UV-Vis and single crystal XRD. The crystal belongs to orthorhombic, space group Fdd2 with unit cell parameters a = 27.487(4) ?, b = 35.239(6) ?, c = 6.0517(9) ?, V = 5861.7(16) ?3, Z = 16, Dc = 1.497, Mr = 330.24, μ = 1.300 mm−1, F(000) = 2720, R
1
= 0.0413, and wR
2
= 0.0753. The molecule is the anti-rotamer of the trans-isomer and every molecule joins each other to a zig-zag chain through
the intermolecular unclassical hydrogen-bonds of C(7)–H(7)···N(1) (3.449(8) ?, 172°). Further every chain self-assembles into
a three-dimensional networking structure via another intermolecular unclassical hydrogen-bonds of C(1)–H(1A)···π/Cg (3.597(7) ?,
143°) and the weak inter molecular interaction forces of C(4)–H(4)···S(1) (3.742(7) ?, 139°) and C(14)–H(14)···H(6) (3.080(7) ?,
134°).
Graphical Abstract
Synthesis and Structure of 2-Ferrocenylmethylidenehydrazono-1,3-dithiolane
Yonghong Liu, Xiangqian Dai, Xiaolan Liu, Wei Xu, and Rong Guo
College of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou, 225002, P.R. China
The title compound was synthesized and characterized by elemental analysis, 1H NMR, 13C NMR, IR, UV-Vis and single crystal
XRD.
相似文献
7.
Davar M. Boghaei Fatemeh Behzadian-Asl Hamid Reza Khavasi 《Journal of chemical crystallography》2008,38(4):311-314
Abstract The chemical preparation and crystal structure for a 4,4′-azodi(phenylcyanamide) salt) in the solid state are reported. This
compound crystallizes in the triclinic space group P
with the following unit cell parameters: a = 9.759(3) ?, b = 11.237(4) ?, c = 11.919(4) ?, α = 95.54(3)°, β = 98.50(3)°, γ = 109.39(2)°, Z = 1 and V = 1204.4(7) ?3. The 4,4′-azodi(phenylcyanamide) dianion, azodicyd2−, is approximately planar, with the cyanamide groups (–N=C=N) in an anti conformation relative to each other and the azo group (–N=N–) adopting the more thermodynamically stable trans conformation. The crystal X-ray analysis shows that there are one azo molecule cation, two tetrabutylammonium cations and
one water molecule in unit cell. Intermolecular O–H···N hydrogen bonds may be effective in the stabilization of the crystal
structure of this compound and to form linear chain structure in the packing.
Index Abstract Synthesis and crystal structure of Bis (Tetrabutylammonium)(4,4′-Azodi(phenylcyanamide)) salt . [(n-Bu)4N]2[Azodicyd2-] · H2O
Davar M. Boghaei 1*, Fatemeh Behzadian-Asl 1 and Hamid Reza Khavasi2
1 Department of Chemistry, Sharif University of Technology, P.O. Box 11155-9616, Tehran, Iran
2 Department of Chemistry, Shahid Beheshti University, Evin, Tehran 1983963113, Iran
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
8.
Abstract The crystal structure of 4,4′-bipyridin-1-ium perchlorate dihydrate, [C10H9N2](ClO4) · 2H2O, is determined by room temperature X-ray diffraction. The compound crystallizes in the triclinic space group P-1 with a = 8.122(3) ?, b = 9.726(3) ?, c = 17.648(6) ?, α = 78.181(4)°, β = 82.797(5)°, γ = 67.439(4)°, Z = 2, V = 1258.4(7) ?3. In the compound, monoprotonated 4,4′-bipyridin-1-ium cations are self-assembled into supramolecular chains along the a-axis through N–H···N hydrogen bonds in a head-to-tail fashion. The chains are stacked via π–π stacking interactions to create
two-dimensional sheets. The interlayer space is occupied by the hydrogen-bonded water chains that are linked to the organic
sheets via C–H···O interactions and the perchlorate anions that are linked to the water chains and the organic sheets via
O–H···O and C–H···O hydrogen bonds, respectively, thus generating a three-dimensional supramolecular architecture.
Index Abstract Supramolecular Network via Hydrogen Bonding and π–π Stacking in 4,4′-Bipyridin-1-ium perchlorate dihydrate
Jian-Yong Zhang, Ai-Ling Cheng and En-Qing Gao*
Monoprotonated 4,4′-bipyridin-1-ium cations are self-assembled into supramolecular chains along the a-axis through N–H···N hydrogen bonds, and these chains are stacked via π–π stacking and hydrogen bond interactions involving
water molecules and perchlorate anions.
相似文献
9.
Abstract Two isoflavone derivatives, 5,6,7,4′-tetramethoxyisoflavone (I) and 6,4′-dimethoxy- 7-ethoxy-5-hydroxylisoflavone (II), have
been synthesized and their crystal structures were determined by 1H NMR and single crystal X-ray diffraction studies. I is triclinic, space group P-1 with a = 7.828(1) ?, b = 10.285(2) ?, c = 11.608(2) ?, α = 104.90(2)°, β = 110.546(9)°, γ = 99.54(1)° and Z = 2. II is orthorhombic, space group Pna2
1
with a = 7.0244(6) ?, b = 15.0104(15) ?, c = 15.7538(15) ?, and Z = 4. Molecules of I are linked into two-dimensional structure by a combination of C–H···O hydrogen bond and F-type aromatic–aromatic
interactions. II shows some discrepancies with I and the molecules are linked into columns by T-type aromatic-aromatic interaction.
Graphical Abstract
F-type or T-type Aromatic–Aromatic Interaction in Two Isoflavone Derivatives
Zun-Ting Zhang,* Xue-Ling Zhang
Molecules of 5,6,7,4′-tetramethoxyisoflavone are linked into two-dimensional structure by a combination of C–H···O hydrogen
bond and F-type aromatic–aromatic interactions; 6,4′-dimethoxy-7-ethoxy-5-hydroxylisoflavone shows some discrepancies with
5,6,7,4′-tetramethoxyisoflavone and the molecules are linked into columns by T-type aromatic–aromatic interaction.
相似文献
10.
Krishnan Ravikumar Balasubramanian Sridhar Masna Mahesh Vaddu Venkata Narayana Reddy 《Journal of chemical crystallography》2008,38(1):33-38
Abstract Crystallization by slow evaporation of methanol solution of 5-(4-nitrophenyl)-3,4,4a5,6,10b-hexahydro-2H-pyrano[3,2-c] quinoline,
yields two polymorphs. Rectangle plate-like crystals have a triclinic (P
) structure, with one molecule in the asymmetric unit, a = 8.2299(5) ?, b = 9.7774(6) ?, c = 11.0047(7) ?, α = 65.718(1)°, β = 75.699(1)° and γ = 71.617(1)°, while, long needle-like crystals exhibit a monoclinic
(C2/c) crystal structure in which two independent molecules comprise the asymmetric unit, a = 32.285(3) ?, b = 9.4045(7) ?, c = 22.804(2) ? and β = 114.965(1)°. The crystal structures reveal the molecule in both the polymorphs as an endo-Imino-Diels-Alder
cycloadduct isomer. The stereochemistry of the pyran ring in both the polymorphs is exo to the quinoline ring formed in the
cycloaddition step. The molecules are linked by N–H···O hydrogen bonds into centrosymmetric dimers forming R2
2(18) rings in the triclinic form, while they are arranged to form a helical chain in the monoclinic form.
Index abstract Crystallization by slow evaporation of methanol solution of 5-(4-nitrophenyl)-3,4,4a5,6,10b-hexahydro-2H-pyrano[3,2-c] quinoline,
yields two polymorphs. The crystal structures reveal the molecule in both the polymorphs as an endo-Imino-Diels-Alder cycloadduct
isomer. The stereochemistry of the pyran ring in both the polymorphs is exo to the quinoline ring formed in the cycloaddition
step. The molecules are linked by N–H···O hydrogen bonds into centrosymmetric dimers forming R2
2(18) rings in the triclinic form, while they are arranged to form a helical chain in the monoclinic form.
In the present study, we have determined the crystal structures of two polymorphs of pyranoquinoline, I and II. 相似文献
11.
Abstract
N-(2,6-difluorobenzoyl)-N′-[5-(pyrid-4-yl)-1,3,4-thiadiazol-2-yl]urea, 3, has been synthesized by reaction of 2-amino-5-(pyrid-4-yl)-1,3,4-thiadiazole with 2,6-difluorobenzoyl isocyanate, and its
structure was characterized with X-ray crystallographic, NMR, MS and IR techniques. It crystallizes in the triclinic space
group P − 1, with a = 7.0821(9) ?, b = 9.4896(13) ?, c = 11.6594(15) ?, α = 82.311(2)°, β = 82.328(2)°, and γ = 87.641(2)°. In the title compound, the urea scaffold in each molecule is essentially planar due to the presence of intramolecular
N–H···O hydrogen bond. The molecules are linked by intermolecular complementary N–H···O hydrogen bonds into centrosymmetric
R
22(8) dimers. Intermolecular π–π stacking interactions are also present. The preliminary bioassay shows that the title compound exhibits excellent fungicidal
activities against Rhizoctonia solani, Botrytis cinerea and Dothiorella gregaria.
Index Abstract
N-(2,6-difluorobenzoyl)-N′-[5-(pyrid-4-yl)-1,3,4-thiadiazol-2-yl]urea has been synthesized and characterized with X-ray crystallographic, NMR, MS and IR techniques.
The preliminary bioassay shows that the title compound exhibits excellent fungicidal activities.
相似文献
12.
Abstract The title compound containing two metal centers each complexes to one enantiopure chiral norephedrine-derived pyridyl-(bis)
oxazoline (pybox) ligand and linked by two hydroxide bridges, crystallizes to give rodlike form in the space group P21(# 4). Cell Parameters are a = 10.2344(18) ?, b = 13.952(3) ?, c = 23.371(4) ?, β = 94.586(4)°, V = 3326.6(10) ?3. The metal-hydroxide motif forms a square plane at the center of the structure with the scandium centers exhibiting a distorted
pentagonal bipyramid coordination sphere consisting of the chelating ligand and two additional triflouromethyl sulfonyloxy
species positioned anti to each other.
Graphical abstract The complex contains two metal centers each complexes to one enantiopure chiral norephedrine-derived pyridyl-(bis) oxazoline
(pybox) ligand and linked by two hydroxide bridges.
Structural report for Sc[(R,R)-norephedrine-pybox](OTf)3 dimeric complex
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
13.
Luke R. Odell Adam McCluskey Timothy W. Failes Edward R. T. Tiekink 《Journal of chemical crystallography》2007,37(12):817-824
Abstract Crystal structures for the isomeric compounds benzyl-(2-chloro-6-methylpyrimidin-4-yl)amine (1), as its hemi-hydrate, and benzyl-(4-chloro-6-methylpyrimidin-2-yl)amine (2) have been determined. Conformational differences lead to multiple molecules, i.e. two and three, in their respective structures.
Layers feature in each of the crystal structures and are stabilized by substantial hydrogen-bonding interactions. Compound
(1) crystallizes as a hemi-hydrate in the triclinic space group P-1 with a = 8.667(5) ?, b = 11.421(7) ?, c = 12.954(8) ?, α = 78.330(10)°, β = 84.553(10)°, γ = 75.510(9)°, and Z = 4. Compound (2) crystallizes in the monoclinic space group P21/c with a = 10.740(3) ?, b = 21.487(6) ?, c = 14.914(4) ?, β = 95.014(5)°, and Z = 12.
Index Abstract Substantial hydrogen-bonding interactions leading to layer structures feature in each of the crystal structures of the isomeric
title compounds.
Electronic supplementary material The online version of this article (doi: ) contains supplementary material, which is available to authorized users. 相似文献
14.
Su-Rong Fang Ai-Hong Yang Yan-Ping Zhang Hong-Ling Gao Jian-Zhong Cui 《Journal of chemical crystallography》2008,38(5):393-396
Abstract A new complex [Co(H2pztc)(bpy)H2O] (H4pztc = pyrazine-2,3,5,6-tetracarboxylic acid, bpy = 2,2′-bipyridine) has been synthesized by hydrothermal reactions of Co(NO3)2 · 6H2O with H4pztc and bpy and characterized by IR and X-ray diffraction single crystal structure analysis. It belongs to monoclinic system,
P21/c space group with a = 13.454(2) ?, b = 12.939(2) ?, c = 11.4993(19) ?, α = 90°, β = 111.640(3)°, γ = 90°. This complex is assembled into 3D supramolecular architecture by hydrogen bonds (O–H···O, C–H···O).
Index Abstract A new complex of cobalt(II) with pyrazine-2,3,5,6-tetracarboxylic acid and 2,2′-bipyridine is assembled by intermolecular
hydrogen bonds forming 2D layer and 3D supramolecular network.
相似文献
15.
Harjyoti Thakuria Ballav Moni Borah Avijit Pramanik Gopal Das 《Journal of chemical crystallography》2007,37(12):807-816
Abstract This paper describes the solid-state synthesis and systematic studies of versatile supramolecular self-assembly of 14 new
series of organic salt cocrystals. Hierarchical self-assembly in the solid state utilizes the cooperative interaction of hydrogen
bonding, electrostatic and π–π interactions. These salts are crystallized as a highly ordered self-assembly directed by intermolecular
non-covalent interaction.
Index Abstract Fourteen cocrystals of organic salt have been characterized by single crystal X-ray diffraction and their solid-state packing
pattern has been compared.
Electronic supplementary material The online version of this article (doi: ) contains supplementary material, which is available to authorized users. 相似文献
16.
Abstract 7,4′-bis-(hydroxyl)-8,3′,5′-tris-(hydroxymethyl)isoflavone (I) and its ester were synthesized and examined by IR, element
analysis and 1H NMR. The crystal of 7,4′-bis-(acetyl oxide)-8,3′,5′-tris-(acetoxymethyl)isoflavone (II) was studied by X-ray diffraction.
(II) crystallizes in the monoclinic with space group P2
1
/c. a = 17.987(3) ?, b = 17.972(3) ?, c = 8.4087(11) ?, β = 97.703(3)°, V = 2693.7(6) ?3 and Z = 4. The molecular structure of the ester consists of a benzopyranone moiety, a phenyl moiety, two acetyl oxides and three
acetoxymethyl groups. Hydrogen bonds and aromatic stacking interactions link the ester into a two-dimensional structure.
Index Abstract 7,4′-bis-(hydroxyl)-8,3′,5′-tris-(hydroxymethyl)isoflavone and its ester were synthesized and examined by IR, element analysis
and 1H NMR. The result of the ester’s crystal structure showed that hydrogen bonding and aromatic π–π stacking assemble the ester
into a two-dimensional networking structure.
相似文献
17.
Hossein Aghabozorg Mohammad Ghadermazi Bahar Nakhjavan Faranak Manteghi 《Journal of chemical crystallography》2008,38(2):135-145
Abstract The three complexes (pnH2)[Co(pydc)2]·4H2O 1, (pnH2)[Cu(pydc)2]·4H2O 2, and (pnH2)[Cd(pydc)2]·3.5H2O 3 (pn: propane-1,3-diamine, pydc: pyridine-2,6-dicarboxylate) were prepared using a proton transfer compound (pnH2)(pydc)·(pydcH2)·2.5H2O, LH
2
and corresponding metallic salts. The characterization was carried out using elemental analysis, IR and NMR spectroscopy,
and single crystal X-ray diffraction. Complexes 1 and 2 crystallize in space group P
, but complex 3 crystallizes in space group P2/c. Cell parameters of the complexes are a = 8.449(1) ?, b = 11.668(1) ?, c = 12.801(1) ?, α = 115.748(2)°, β = 93.038(2)°, γ = 97.867(2)° for 1; a = 7.973(2) ?, b = 16.632(2) ?, c = 25.280(5) ?, α = 94.178(6)°, β = 95.186(6)°, γ = 91.603(5)° for 2 and a = 20.055(1) ?, b = 13.8161(9) ?, c = 8.2418(5) ?, β = 100.086(1)° for 3. The three crystal structures illustrate that the metal ion is six-coordinated by two pydc’s. In structures of 2 and 3, it can be seen that propane-1,3-diaminium fragments have different conformations. The complexes have ion-pairing interactions,
O–H···O, N–H···O and C–H···O hydrogen bonds, π–π stacking as well as van der Waals forces as the main factors in formation
of their supramolecular structures.
Index Abstract
Supramolecular Cobalt(II), Copper(II) and Cadmium(II) Complexes Obtained from a Proton Transfer Compound including Pyridine-2,6-dicarboxylate
and Propane-1,3-diaminium Ions; Synthesis, Characterization and Crystal Structure
Hossein Aghabozorg, Mohammad Ghadermazi,Bahar Nakhjavan, Faranak Manteghi
The synthesis, characterization, crystal structure and non-covalent interactions of three supramolecular complexes of Co(II),
Cu(II) and Cd(II) obtained by the reaction of a proton transfer compound i.e. (pnH2)(pydc)·(pydcH2)·2.5H2O with the corresponding metallic salts are reported.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
18.
Bidhan A. Shinkre Dwayaja H. Nadkarni Samuel B. OwensJr. Gary M. Gray Sadanandan E. Velu 《Journal of chemical crystallography》2008,38(3):205-209
Abstract Details of the synthesis of the E isomer of 3-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)acrylonitrile, and the X-ray crystal structures of both the E and Z isomers of this compound are presented. The E isomer crystallizes in the P21/c space group with cell parameters, a = 8.5659(17) ?, b = 16.399(3) ?, c = 11.224(2) ?, α = 90°, β = 95.27(3)°, γ = 90°and Z = 4. The Z isomer crystallizes in the Pca21 space group with cell parameters, a = 4.1223(8) ?, b = 19.113(4) ?, c = 19.453(4) ?, α = 90°, β = 90°, γ = 90° and Z = 4.
Index Abstract Synthesis of E isomer and X-ray crystal structure determination of both E and Z isomers of 3-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)acrylonitrile
are presented.
相似文献
19.
Li Zhang Guan-Cheng Xu Lang Liu Guang-Fei Liu Dian-Zeng Jia 《Journal of chemical crystallography》2008,38(2):151-155
Abstract A new compound 1-phenyl-3-methyl-4-(salicylidene hydrazide)-phenylethylene-pyrazolone-5 (PMPeP-SHZ) has been synthesized and
characterized by elemental analysis, IR spectrum, MS and single crystal X-ray diffraction. The compound crystallizes in a
monoclinic, space group P2(1)/c with cell parameters: a = 10.8275(19) ?, b = 24.689(4) ?, c = 9.7167(16) ? and β = 95.127(4)°, Z = 4, S = 1.097. In the crystal structure, the compound presents in the diketo form. The structure exhibits both intra- and intermolecular
hydrogen bonding and the molecules are interlinked through hydrogen bonds forming an infinite 2D network. The fluorescent
result shows blue emission at room temperature in solid state.
Graphical Abstract
Synthesis, Characterization and Crystal Structure of 1-Phenyl-3- methyl-4-(salicylidene hydrazide)-phenylethylene-pyrazolone-5
Li Zhang, Guan-Cheng Xu, Lang Liu, Guang-Fei Liu, and Dian-Zeng Jia*
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
20.
Joseph M. Ellsworth Zeeshan M. Khaliq Kathryn L. Seward Mark D. Smith Hans-Conrad zur Loye 《Journal of chemical crystallography》2007,37(11):749-754
Abstract Three new isostructural coordination complexes, M(pca)3, where M = Co (1), Cr (2), or Rh (3) and 2-pyrazine-carboxylate (pca), have been synthesized solvothermally and characterized
by single crystal X-ray diffraction and powder X-ray diffraction. In structures 1-3, the pca ligand chelates to the metal
centers in a tris-chelating arrangement through proximal nitrogen and oxygen donor atoms. Structures 1-3 are monoclinic and
crystallize in the space group C2/C. In structure 1, a = 28.066(13) ?, b = 8.036(4) ?, c = 13.577(6) ?, and β = 90.2(10)°.
In structure 2 a = 28.318(3) ?, b = 8.089(4) ?, c = 13.792(12) ?, and β = 90.256(2)°. In structure 3, a = 28.679(4) ?, b = 8.051(13) ?,
c=13.847(2) ?, and β = 90.585(2)°.
Graphical Abstract Three new isostructural coordination complexes, M(pca)3, where M = Co, Cr, or Rh and 2-pyrazine-carboxylate (pca), have been synthesized solvothermally and characterized by single
crystal X-ray diffraction and powder X-ray diffraction.
相似文献