Home About us Contact
|
Home About us Contact | ||
|
|
||
Monoclinic Space Group P21/c (monoclinic + space_group_c)
Selected AbstractsMixed crystal of bis(,2 -N,N-di-n-butyldithiocarbamato-S,S,S,)-bis(N,N-di-n-butyldithiocarbamato-S,S,)-di-zinc(II) and bis(,2 -N,N-di-n-butyldithiopercarbamato-S,O,O,)-bis(N,N-di-n-butyldithiocarbamato-S,S,)-di-zinc(II)CRYSTAL RESEARCH AND TECHNOLOGY, Issue 10 2007F. Emmerling Abstract The title compounds Zn2[S2CN(n-C4H9)2]41 and Zn2[(S(SO)CN(n-C4H9)2)(S2CN(n-C4H9)2)]23 build mixed crystals in the ratio 0.42: 0.58. Each compound forms dimers, in which the monomer moieties are related via a two-fold axis, coinciding with that of the monoclinic space group C2/c. The lattice parameters are a = 23.581(9), b = 17.112(5), c = 16.372(9) Å, and , = 128.33(3)°. (© 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Crystal structure, thermal analysis and IR spectrometric investigation of bis (2-amino-6-methyl) pyridinium sulfateCRYSTAL RESEARCH AND TECHNOLOGY, Issue 4 2006T. Guerfel Abstract The synthesis method, crystal structure determination, phase transitions studied by thermal analysis and IR spectrometric investigation of 2C6H9N2+.SO42, are reported. The compound crystallizes in the monoclinic space group C2/c (no. 15) with a = 10.5068(4) Å, b = 10.2225(5) Å, c = 14.0422(7) Å, and , = 104.489(3)°. The atomic arrangement can be described by layers built by all the components of the structure and centered by planes z = 1/4 and 3/4. The organic molecules form channels parallel to the c direction with dimensions of 4.163(1)Å and 5.148(4)Å. Thermal analysis shows that the anhydrous compound presents an irreversible weak phase transition. The IR study, based on theoretical analyses and on the literature data allows the interpretation of the IR spectrum. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Crystal structure of ,-phenoxo bridged dicopper complex: {N-[(2-hydroxylato-5-methyl)benzyl-(2,-hydroxylato-3,,5,-dimethylbenzyl)]ethyl amine dicopper(II)}CRYSTAL RESEARCH AND TECHNOLOGY, Issue 12 2002S. M. Malathy Sony Abstract The title compound crystallizes in monoclinic space group C2/c with cell parameters a = 21.404(2), b = 13.962(1), c = 17.917(1)Å, , = 124.394(2)°, V = 4418.3(6)Å3, Z = 8, Dcal = 1.193Mg/m3 and T = 293 K. The structure was solved by Patterson method and refined by full-matrix least-squares procedures to final R = 0.0882 using 5253 observed reflections. The tetra coordinated copper atom have a slight distorted square planar geometry with the Cu-Cu distance of 2.987(1)Å. The two six membered rings containing copper atom assume distorted sofa conformation. C-H,, and C-H,O type of intermolecular interactions play a role in stabilizing the crystal packing in addition to van der Waals forces. [source] A Comparative Study of the Optical and Electroluminescent Properties of EuIII Complexes with TTA and 2-(2,-Pyridyl)azoles: The Crystal Structure of [Eu(TTA)3(PBO)]EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 18 2006Li-Hua Gao Abstract Two EuIII mixed-ligand complexes, namely [Eu(TTA)3(PBO)]and [Eu(TTA)3(PBT)] [TTA = 1,1,1-trifluoro-3-(2-thenoyl)acetonato, PBO = 2-(2,-pyridyl)-1,3-benzoxazole, and PBT = 2-(2,-pyridyl)-1,3-benzothiazole], have been synthesized. [Eu(TTA)3(PBO)] has been structurally characterized by single-crystal X-ray diffraction analysis. The complex crystallizes in the monoclinic space group C2/c. The lattice parameters are a = 41.346(4), b = 10.0538(8), c = 20.3793(16) Å, , = 110.922(2)°, Z = 8. The EuIII ion is eight-coordinate, with three bidentate TTA, anions and one bidentate N,O-chelated PBO molecule. A comparative study by UV and emission spectroscopy was carried out and electroluminescent properties of the related complexes [Eu(TTA)3(PBO)] and [Eu(TTA)3(PBT)] are reported as well. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006) [source] Structural Relationships in High-Nuclearity Heterobimetallic Bismuth-Oxo ClustersEUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 24 2005Michael Mehring Abstract The novel heterobimetallic sodium-bismuth-oxo clusters [Bi2Na4O(OSiMe3)8] (1), [Bi10Na5O7(OH)6(OSiMe3)15]·1.5C7H8 (2·1.5C7H8), [Bi15Na3O18(OSiMe3)12]·C7H8 (3·C7H8) and [Bi14Na8O18(OSiMe3)14(THF)4]·C6H6 (4·C6H6) were prepared starting from BiCl3 and NaOSiMe3. Compound 1 crystallises in the trigonal space group Rc with the lattice constants a = 12.8844(3) Å and c = 54.6565(3) Å, compound 2·1.5C7H8 crystallises in the triclinic space group P with the lattice constants a = 15.0377(2) Å, b = 16.0373(2) Å, c = 27.8967(5) Å, , = 87.1321(6)°, , = 86.6530(7)° and , = 63.6617(6)°, compound 3·C7H8 crystallises in the monoclinic space group C2/c with the lattice constants a = 54.311(11), b = 19.846(4), c = 22.885(5) Å and , = 112.32(3)°, and compound 4·C6H6 crystallises in the trigonal space group R with the lattice constants a = 15.9786(4) Å and c = 46.8329(17) Å. The formation of M,O,M bonds results from both partial hydrolysis followed by condensation as well as from elimination of Me3SiOSiMe3 from M,OSiMe3 groups. The hexanuclear metal-oxo silanolate 1 is more conveniently synthesised by the addition of NaOSiMe3 to a toluene solution of in situ-prepared [Bi(OSiMe3)3]. The metal-oxo(hydroxo) silanolates differ significantly in composition, but show similar building units. Thermal decomposition of the metal-oxo silanolates in the solid state gave heterogeneous decomposition products containing bismuth silicates. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005) [source] One-Dimensional Oxalato-Bridged Metal(II) Complexes with 4 - Amino-1,2,4-triazole as Apical LigandEUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 21 2005Urko García-Couceiro Abstract The synthesis, chemical characterization, thermal behavior and magnetic properties of six new one-dimensional oxalato-bridged metal(II) complexes of formula [M(,-ox)(4atr)2]n [MII = Cu (1), Ni (2), Co (3), Zn (4), Fe(5)] and [Cd(,-ox)(4atr)2(H2O)]n (6) (ox = oxalato dianion, 4atr = 4-amino-1,2,4-triazole) are reported. The crystal structures of 1 and 6 have been solved by single-crystal X-ray diffraction, whereas the remaining compounds have been studied by means of X-ray powder diffraction methods. Compounds 1,5 are isomorphous and crystallize in the triclinic space group P1¯ with unit cell parameters for 1 of a = 5.538(1) Å, b = 7.663(1) Å, c = 7.711(2) Å, , = 62.21(1)°, , = 73.91(1)°, , = 86.11(1)°, and Z = 1. The crystal structures are comprised of one-dimensional linear chains in which the trans -[M(4atr)2]2+ units are sequentially bridged by bis(bidentate) oxalato ligands, resulting in an octahedral O4N2 donor set. Cryomagnetic susceptibility measurements show the occurrence of antiferromagnetic intrachain interactions for 2, 3, and 5, whereas compound 1 exhibits a weak ferromagnetic coupling in agreement with the out-of-plane exchange pathway involved. The magnetic behavior of 1 and 2 is analyzed and discussed in the light of the available magneto-structural data for analogous systems. CdII complex crystallizes in the monoclinic space group C2/c with unit cell parameters of a = 16.128(2) Å, b = 6.757(1) Å, c = 11.580(2) Å, , = 104.46(1)°, and Z = 4. Its crystal structure contains one-dimensional chains in which metal centers are heptacoodinated to four oxygen atoms from two symmetry-related bis(bidentate) oxalato bridges, two endocyclic nitrogen atoms of trans -coordinated triazole ligands and one water molecule, to give a CdO4OwN2 pentagonal-bipyramidal geometry. Thermoanalytical and variable-temperature X-ray powder diffraction analyzes show that compound 6 undergoes a reversible dehydration,hydration process in which the anhydrous residue crystallizes with a different crystal lattice retaining the dimensionality of the oxalato,metal framework. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005) [source] 9-Cyano-10-methylacridinium hydrogen dinitrateACTA CRYSTALLOGRAPHICA SECTION C, Issue 5 2002Olexyj M. Huta The title compound, C15H11N2+·HN2O6,, crystallizes in the monoclinic space group C2/c with four molecules in the unit cell. The planar 9-cyano-10-methylacridinium cations lie on crystallographic twofold axes and are arranged in layers, almost perpendicular to the ac plane, in such a way that neighbouring molecules are positioned in a `head-to-tail' manner. These cations and the hydrogen dinitrate anions are linked through C,H,O interactions involving four of the six O atoms of the anion and the H atoms attached to the C atoms of the acridine moiety in ring positions 2 and 4. The H atom of the hydrogen dinitrate anion appears to be located on the centre of inversion relating two of the four O atoms engaged in the above-mentioned C,H,O interactions. In this way, columns of either anions or cations running along the c axis are held in place by the network of C,H,O interactions, forming a relatively compact crystal lattice. [source] Crystal structure of 2-(2'-hydroxyphenyl)-6-tributylstannyl-4-(3H )-quinazolinone and 2-(2'-hydroxyphenyl)-6-iodo-4-(3H)-quinazolinoneCRYSTAL RESEARCH AND TECHNOLOGY, Issue 6 2006Ketai Wang Abstract The structures of the title compounds C26H37N2O2Sn (I) and C14H9IN2O2 (II) were determined by single-crystal X-ray diffraction technique. Compound I crystallizes in the triclinic space group P1 with a = 9.560(3) Å, b = 16.899(6) Å, c = 17.872(5) Å, , = 65.957(7)°, , = 83.603(5)°, , ( = 75.242(5)°, V = 2549.8(13) Å3, Z = 4, and D =1.374 g/cm3. The compound consists of a quinazolinone ring with phenol and tributylstannyl moieties. Compound II crystallizes in the monoclinic space group P21/c with a = 7.6454(12) Å, b = 5.9270(9) Å, c = 27.975(4) Å; , = 90°, , = 95.081(3)°, , = 90°, V = 1262.7(3) Å3, Z = 4, and D = 1.915 g/cm3. The compound consists of a quinazolinone ring with phenol and iodine substituents. For both I and II, the short intramolecular O,H,N and two long intermolecular N,H,O hydrogen bonds are highly effective in holding the molecular system in a stable state. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Synthesis and structural conformation of N-substituted 1,4-dihyropyridine derivativesCRYSTAL RESEARCH AND TECHNOLOGY, Issue 1 2006M. Mahendra Abstract N-(Phenyl)-3,5-dicarbethoxy-2,6-dimethyl-4-(phenyl)-1,4-dihydropyridine (A) and N-(4-methoxy phenyl)--3,5 dicarbethoxy-2,6 dimethyl-4-(3-nitro phenyl)-1,4-dihydropyridine (B) has been synthesized as per scheme and characterized by the X-ray diffraction method. The compound A crystallizes in monoclinic space group P21/c with cell parameters a = 9.2770(11)Å, b = 8.6410(5)Å, c = 27.601(3)Å, , = 97.724(3)°, Z = 4. The compound B crystallizes in monoclinic space group P21/c with cell parameters a = 11.229(6), b = 12.746(7)Å, c =17.606(6)Å, , = 104.531(3)°, Z = 4. The structures exhibit both intra and intermolecular hydrogen bonds. Dihydropyridine ring of both the compounds adopt a flat boat conformation. (© 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Two Hexanickel-Substituted Keggin-Type Germanotungstates,EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 24 2008Jun-Wei Zhao Abstract Two new inorganic,organic hybrid germanotungstates built from trivacant Keggin fragments and in situ generated hexanickel clusters [Ni(en)2]0.5[{Ni6(,3 -OH)3(en)3(H2O)6}(B-,-GeW9O34)]·3H2O (1) and [{Ni6(,3 -OH)3(dap)3(H2O)6}(B-,-GeW9O34)]·H3O·4H2O (2) (en = ethylenediamine and dap = 1,2-diaminopropane) were hydrothermally synthesized and characterized by IR spectroscopy, elemental analysis, thermogravimetric analysis, single-crystal X-ray diffraction and magnetic analysis. Compound 1 crystallizes in the monoclinic space group P21/n; whereas compound 2 crystallizes in the monoclinic space group P21/c. Single-crystal X-ray diffraction indicates that both contain a hexa-NiII -substituted trivacant Keggin unit [{Ni6(,3 -OH)3(L)3(H2O)6}(B-,-GeW9O34)], (L = en or dap). Magnetic susceptibility measurements show the presence of ferromagnetic coupling interactions within the hexa-NiII clusters for 1 and 2. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008) [source] Direct Synthesis of (PhSe)4Ge and (PhTe)4Ge from Activated Hydrogenated Germanium , Crystal Structure and Twinning of (PhTe)4GeEUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 7 2003Sabine Schlecht Abstract The germanium chalcogenolates (PhSe)4Ge and (PhTe)4Ge were synthesized from activated hydrogenated germanium (Ge*) and diphenyldiselenide or diphenylditelluride, respectively. (PhTe)4Ge is the first homoleptic organotellurolate of germanium. It was characterized spectroscopically and by X-ray crystal structure analysis. (PhTe)4Ge crystallizes in the monoclinic space group P21/c with a = 12.8018(14), b = 9.1842(9), c = 23.690(3) Å and , = 105.458(8)°. The molecules show a tetrahedral GeTe4 core. Weak Te-Te interactions connect neighbouring tetrahedra to infinite helices along [010]. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003) [source] Green chemistry synthesis: 2-amino-3-[(E)-(2-pyridyl)methylideneamino]but-2-enedinitrile monohydrate and 5-cyano-2-(2-pyridyl)-1-(2-pyridylmethyl)-1H -imidazole-4-carboxamideACTA CRYSTALLOGRAPHICA SECTION C, Issue 9 2010Muhammad Altaf The title compounds, C10H9N5O·H2O (L1·H2O) and C16H12N6O (L2), were synthesized by solvent-free aldol condensation at room temperature. L1, prepared by grinding picolinaldehyde with 2,3-diamino-3-isocyanoacrylonitrile in a 1:1 molar ratio, crystallized as a monohydrate. L2 was prepared by grinding picolinaldehyde with 2,3-diamino-3-isocyanoacrylonitrile in a 2:1 molar ratio. By varying the conditions of crystallization it was possible to obtain two polymorphs, viz. L2-I and L2-II; both crystallized in the monoclinic space group P21/c. They differ in the orientation of one pyridine ring with respect to the plane of the imidazole ring. In L2-I, this ring is oriented towards and above the imidazole ring, while in L2-II it is rotated away from and below the imidazole ring. In all three molecules, there is a short intramolecular N,H...N contact inherent to the planarity of the systems. In L1·H2O, this involves an amino H atom and the C=N N atom, while in L2 it involves an amino H atom and an imidazole N atom. In the crystal structure of L1·H2O, there are N,H...O and O,H...O intermolecular hydrogen bonds which link the molecules to form two-dimensional networks which stack along [001]. These networks are further linked via intermolecular N,H...N(cyano) hydrogen bonds to form an extended three-dimensional network. In the crystal structure of L2-I, symmetry-related molecules are linked via N,H...N hydrogen bonds, leading to the formation of dimers centred about inversion centres. These dimers are further linked via N,H...O hydrogen bonds involving the amide group, also centred about inversion centres, to form a one-dimensional arrangement propagating in [100]. In the crystal structure of L2-II, the presence of intermolecular N,H...O hydrogen bonds involving the amide group results in the formation of dimers centred about inversion centres. These are linked via N,H...N hydrogen bonds involving the second amide H atom and the cyano N atom, to form two-dimensional networks in the bc plane. In L2-I and L2-II, C,H..., and ,,, interactions are also present. [source] Natural monoclinic AgPb(Bi2Sb)3S6, an Sb-rich gustaviteACTA CRYSTALLOGRAPHICA SECTION C, Issue 11 2009Richard Pa The crystal structure of the Sb-rich variety of the mineral gustavite, silver lead tris(dibismuth/antimony) hexasulfide, AgPb(Bi2Sb)3S6, consists of blocks of diagonal chains of four octahedra, viz. M1a (Bi), M2a (Sb/Bi), M2b (Bi/Sb) and M1b (Ag), separated by Pb atoms in a trigonal prismatic coordination. Two marginal octahedral sites, M1a and M1b, where the gustavite substitution Ag+ + Bi3+ = 2Pb2+ takes place, are formed by Bi and Ag, respectively. Two central octahedra, M2a and M2b, where the Bi3+ = Sb3+ substitution takes place, are formed by two mixed Bi/Sb sites with different occupancies of Bi and Sb. The alternating occupation of the M1 site by Bi and Ag atoms (which thus creates two distinct sites M1a and M1b) results in the monoclinic space group P21/c. A statistical distribution of Ag/Bi in the M1 position (one mixed Ag/Bi site) was reported for synthetic gustavite, resulting in the orthorhombic space group Cmcm. [source] From small structural modifications to adjustment of structurally dependent properties: 1-methyl-3,5-bis[(E)-2-thienylidene]-4-piperidone and 3,5-bis[(E)-5-bromo-2-thienylidene]-1-methyl-4-piperidoneACTA CRYSTALLOGRAPHICA SECTION C, Issue 4 2009Paul Tongwa The molecules of the title compounds, C16H15NOS2, (I), and C16H13Br2NOS2, (II), are E,E -isomers and consist of an extensive conjugated system, which determines their molecular geometries. Compound (I) crystallizes in the monoclinic space group P21/c. It has one thiophene ring disordered over two positions, with a minor component contribution of 0.100,(3). Compound (II) crystallizes in the noncentrosymmetric orthorhombic space group Pca21 with two independent molecules in the unit cell. These molecules are related by a noncrystallographic pseudo-inversion center and possess very similar geometries. The crystal packings of (I) and (II) have a topologically common structural motif, viz. stacks along the b axis, in which the molecules are bound by weak C,H...O hydrogen bonds. The noncentrosymmetric packing of (II) is governed by attractive intermolecular Br...Br and Br...N interactions, which are also responsible for the very high density of (II) (1.861,Mg,m,3). [source] Dimethyl 3,4,5,5-tetraphenyl-1,3-thiazolidine-2,2-dicarboxylate and 3,3-dichloro-2,2,4,4,3,-pentamethyl- r -2,,t -4,-diphenylcyclobutane-1-spiro-5,-1,3-thiazolidineACTA CRYSTALLOGRAPHICA SECTION C, Issue 8 2004gorzata Domaga The first of the title compounds, C31H27NO4S, (V), crystallizes in the monoclinic space group P21/c with two independent molecules in the asymmetric unit, while the second, C23H27Cl2NS, (IX), crystallizes in the orthorhombic space group Pbca with one molecule in the asymmetric unit. In both crystal structures, the 1,3-thiazolidine ring adopts a half-chair conformation. The crystal structures are stabilized by weak C,H,O and C,H,Cl hydrogen bonds in (V) and (IX), respectively. [source] | ||||||||||