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1.
The title compound crystallizes in the orthorhombic space group Pnma, with a = 7.9209(5), b = 9.818(1), c = 16.867(2) Å, and Z = 4. The structure was solved employing 1864 independent x-ray reflections with I>2(I) by Patterson and difference Fourier techniques and refined by full-matrix least-squares to R = 0.036. The trans-[CO(NH3)4(NH2CH3)Cl](ClO4)2 molecule is on a crystallographic mirror plane. The cobalt ion is in an elongated octahedral coordination with four equatorial ammonia ligands [average Co–N distance equal to 1.966(2) Å], an axial methylamine [Co–N=1.965(3)Å], and an axial chlorine ion [Co–Cl=2.2771(9)Å]. Kinetic steric effects of the complex are interpreted in terms of structural results. 相似文献
2.
The title compound, C10H8N6O3, was synthesized by the reaction of 3‐(1H)‐1,2,4‐triazole hydrazine with 3‐nitrobenzaldehyde in ethanol. The single crystal structure has been determined by X‐ray analysis. The crystal belongs to monoclinic system, space group p21/c with cell constant, a = 8.0214(17) Å, b = 17.334(4) Å, c = 8.9070(18) Å, V= 1179.4(4) Å3. An intramolecular N—H...O and N—H…N hydrogen bond are observed between the ‐NH group with O atom of the carbonyl group and the ‐NH group with N atom. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
3.
S. Guha A. K. Mukherjee T. K. Maji N. Ray Chaudhuri 《Crystal Research and Technology》2006,41(2):198-203
Two conformational isomers of [Zn (medpt)(NCS)2], medpt=bis(3‐aminopropyl) methylamine, (1) and (2) have been synthesised and the crystal structures are determined using single crystal X‐ray diffraction. The structures of the complexes have been solved by Patterson method and refined by full‐matrix least‐ squares techniques to R1 = 0.0524 for (1) and R1 = 0.0506 for (2), respectively. The geometry around the Zn(II) centre in both isomers is distorted trigonal bipyramidal. The two pendent thiocyanate moieties in (1), with Zn–N–C angles 167.9(4)–173.9(4)º, coordinate the mental centre almost linearly while the corresponding coordinations in (2) are significantly bent [Zn–N–C angles 150.8(3)–153.1(2)°]. Intermolecular N–H…S hydrogen bonds stabilise the crystal packing in the complexes forming infinite chains parallel to the [100] direction. The combinations of molecular chains generate three/two dimensional supramolecular framework in complexes (1) and (2). (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
4.
5.
Abstract Well-formed dark red single-crystals of the potentially explosive cobalt(III) azido complex [Co(NH3)5N3](N3)2 (nitrogen content: 72.59%) have been grown using a safe small-scale preparation from [Co(NH3)5N3]Cl2 and sodium azide. The complex crystallizes in the orthorhombic system, space group Pnma with unit cell parameters a = 12.921(3) ?, b = 10.346(2) ?, c = 8.0315(16) ?, V = 1,073.7(4) ?3 and Z = 4. Five NH3 ligands and the azide anion surround the Co3+ ion in a nearly perfect octahedral geometry. Two azide anions are non-coordinating, and no water of crystallization is present
in the crystal structure.
Graphical Abstract Well-formed dark red single-crystals of the potentially explosive cobalt(III) azido complex [Co(NH3)5N3](N3)2 (nitrogen content: 72.59%) have been grown using a safe small-scale preparation from [Co(NH3)5N3]Cl2 and sodium azide. Five NH3 ligands and the azide anion surround the Co3+ ion in a nearly perfect octahedral geometry. Two azide anions are non-coordinating, and no water of crystallization is present
in the crystal structure.
相似文献
6.
The new compounds Rb8[Ce(O2)(CO3)3]2 · 12 H2O (1) and Cs8[Ce(O2)(CO3)3]2 · 10 H2O (2) were obtained from the reaction of hydrogen peroxide and Ce(III) in saturated alkali carbonate solutions. The crystal structures and the unit cell parameters of (1) triclinic, P‐1 with a = 8.973(2) Å, b = 10.815(2) Å, c = 11.130(3) Å, α = 66.992(2)°, β = 68.337(2)°, γ = 74.639(2)°, VEZ = 914.7(4) Å3, Z = 2, and (2) orthorhombic, Pbca, a = 19.3840(16) Å, b = 18.528(2) Å, c = 10.487(3) Å, VEZ = 3766.4(13) Å3, Z = 8, were determined. Both compounds contain the bis‐µ‐peroxo‐hexacarbonatodicerate(IV)‐ion, [(CO3)3Ce(O2)2Ce(CO3)3]8‐. IR and Raman spectra were measured and discussed. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
7.
8.
Ye-Xiang Tong Bei-Sheng Kang Cheng-Yong Su Xiao-Lan Yu Xiao-Ming Chen 《Journal of chemical crystallography》1998,28(8):635-638
A cobalt-thiolato-phosphite complex [Co(o-SC6H4NH2){P(OMe)3}3]PF6 has been prepared and characterized by X-ray crystallography. The complex crystallizes in the triclinic space group
with a = 10.590(4), b = 11.122(3), c = 13.577(5) Å, = 101.85(1), = 108.50(1), = 101.75(1)°, V = 1420.6(8) Å3, and Z = 2. The structure comprises discrete [Co(o-SC6H4NH2){P(OMe)3}3]+ cations and PF
6
–
anions where the metal atom is coordinated in a highly distorted square-pyramidal environment by one chelate o-SC6H4NH
2
–
(abt) and two P(OMe)3 ligands in the basal positions, and a third P(OMe)3 in the axial site with Co–N,, 1.847(5), Co–S, 2.166(2), Co–P, 2.157(2), 2.147(2), and 2.125(2) Å. 相似文献
9.
The title compound [Ni(CPDD)(H2O)2]2(H 2O )2, {]Ni2(C44H28N8O12)] (H2O)2 }, where CPDD = 1H‐cyclopenta(2,1‐b:3,4‐b')(dipyridine‐2,5‐dione) has been prepared and its crystal structure determined by single crystal X‐ray diffraction at room temperature. The complex crystallizes in the triclinic space group P1 w ith two molecules in the asymmetric unit. The cell dimensions are a=10.452(1),b=14.098(1) & c=16.023 Å; D=110.13(1), E=100.63(1) & J=100.85(1)°. The two independent molecules in the asymmertic unit are related by pseudo two fold symmetry. In both the molecules the coordination environment around the Ni(II) may be best described as a distorted octahedral. Due to some delocalization of charge towards one of the oxygens(O1a) from the O2a atom some degree of bond localization has been observed. The individual diones of both the molecules are almost right angles at the metal atom. A long the y‐axis inversion related molecules are forming pseudo‐dimers through hydrogen bonding. 相似文献
10.
[Pb(cis-anti-cis-dicyclohexyl-18-crown-6)(OH2)2][ClO4]2 was crystallized using a slightly modified literature method for the separation of dicyclohexyl-18-crown-6 isomers. It crystallizes in the monoclinic space groupP21/n witha=8.415(5),b=20.993(9),c=8.973(5) Å, β=111.56(6)o, andD calc=1.84 g/cm3 for Z=2. The Pb2+ ion resides on a crystallographic center of inversion and is coordinated to the six crown ether donors and two axial water molecules in a hexagonal bipyramidal geometry. The Pb-O(etheric) distances range from 2.694(4) to 2.743(4) Å while the Pb?OH2 distance is 2.522(6) Å. 相似文献
11.
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, α = 65.957(7)°, β = 83.603(5)°, γ ( = 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; α = 90°, β = 95.081(3)°, γ = 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) 相似文献
12.
G. Y. S. K. Swamy K. Ravikumar K. Chandramohan N.V. Lakshmi 《Crystal Research and Technology》2001,36(11):1273-1279
The title compound [[Cu(shen)]2(tp)], {[Cu(C15H17O4N2)]2}, where tp = dianion of terephthalic acid and shen = (N‐salicylidene‐N'‐(2‐hydroxyethyl ethylene‐diamine)) has been prepared and its crystal structure determined by single crystal X‐ray diffraction at room temperature. The complex crystallizes in the orthorhombic space group Pbca with four formula units in a unit cell of dimensions a = 12.298(2), b = 14.214(2) and c = 16.436(2)Å. The structure consists of binuclear units with Cu(II) ion bridged by the tp ligand in a bis‐unidentate fashion. The five coordinate Cu(II) complex adopts a distorted square‐based pyramid. A crystallographic inversion center has been located at the center of the benzene ring of the tp bridging ligand. The Cu … Cu distance inside a same binuclear entity is 11.069Å. Intermolecular aromatic ring stacking interactions were observed with the shortest atom to atom contact being 3.423Å. 相似文献
13.
The crystal structure of 1‐allyl‐5‐(4‐methylbenzoyl)‐4‐(4‐methylphenyl)pyrimidine‐2(1H)‐thione (C22H20N2OS) has been determined from three dimensional single crystal X‐ray diffraction data. The title compound crystallizes in the monoclinic space group P 21/c, with a = 10.6674(13), b = 10.1077(7), c = 17.9467(19) Å, β = 98.460(9)°, V = 1914.0(3) Å3, Dcalc = 1.251 g cm–3, Z = 4. In the title compound, the allyl group shows positional disorder. Molecules are linked by C‐H···O, C‐H···N and C‐H···S intermolecular interactions forming two‐dimensional network. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
14.
The crystal structure of N‐[(1Z)‐1‐(3‐methyl‐3‐phenylcyclobutyl)‐2‐thiomorpholin‐4‐ylethylidene] thiourea (C18H26N4S2) has been determined by X‐ray crystallographic techniques. The compound crystallizes in the orthorhombic space group Pbca, with unit cell parameters: a = 15.692(3), b = 20.803(8), c = 11.979(6)Å, Z = 8, V = 3911(7)Å3. The crystal structure was solved by direct methods and refined by full‐matrix least squares to a final R‐value of 0.084 for 1447 observed reflections [I > 2σ ( I ) ]. In the thiosemicarbazide moiety, the S = C bond length is 1.656(6), N‐C‐N angle is 115.6(5)°. The crystal structure is stabilized by the intermolecular N‐H...S hydrogen bonds. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
15.
R. Kingsford‐Adaboh P. Osei‐Fosu W.A. Asomaning M. Weber P. Luger 《Crystal Research and Technology》2001,36(1):107-115
The petrol extract of the rootbark of Milletia Thonningii obtained by column chromatography afforded sixteen different crystalline samples to be isolated. The crystal structures of two of these compounds, O,O‐Dimethylalpinumisoflavone (I) and 5‐O‐Methyl‐4'‐O‐(3‐methyl‐but‐2‐en‐1‐yl)alpinumisoflavone (II) are being reported here. (II) has two independent molecules in the asymmetric unit and differs from (I) in a longer side chain attached to C(15) of the phenyl ring. The structural features of the three molecules in the title compounds are reported and compared. The derivatives, being subject of this article are the first reported crystal structures where the isoflavone fragment is fused to a further six membered ring that results in a tricyclic ring system. The benzopyrone fragments are planar. The dihedral angles between the benzopyrone fragment and the phenyl ring being 55.38(6)° for (I) and 44.75(15)° /44.64(15)° for the respective independent molecules of (II) are within the range of values observed for similar structures. 相似文献
16.
V. T. Yilmaz E. Agar K. Guven B. Kahveci S. Sasmaz 《Crystal Research and Technology》2004,39(9):811-814
The structure of the title compound, C15H13N4OCl was determined by single crystal X‐ray diffraction technique. The structure consists of a p‐chlorobenzylamino moiety and triazol and phenyl rings. The title compound crystallizes in the monoclinic space group P21/c with a = 14.368(3), b = 6.255(3), c = 17.631(3) Å, β = 113.24(3)°, Z = 4, V = 1455.8(8) Å3 and Dx = 1.372 gcm‐3. The structure was solved by direct methods and refined by full‐matrix least‐squares method (R=0.0477). The dihedral angle between the triazole moiety and the phenyl ring is 28.8(3)°. The molecular packing is stabilized by N‐H…N and N‐H…O types of inter molecular hydrogen bonds. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
17.
S. M. Malathy Sony M. Kuppayee M. N. Ponnuswamy J. Manonmani M. Kandasamy K. Sivakumar H.‐K. Fun 《Crystal Research and Technology》2006,41(5):517-522
The complex crystallizes in monoclinic space group P21/n with unit cell parameters a = 7.295(4), b = 19.627(5), c = 12.770(4) Å, β = 101.25(4)º, V = 1793.2(12) Å3, Z = 4, ρ = 1.684 Mg/m3 at T = 293(2)K. The structure was solved by Patterson method and refined by full‐matrix least‐squares procedures to final R = 0.0387 using 2906 observed reflections. The asymmetric unit of the complex contains a mononuclear tridentate ligand, a perchlorate group and a methanol molecule. The compound crystallizes as parallel layers of polymeric complex bridged through perchloarate groups. The molecular CuN2OO′O′′2 chromophore involves an elongated rhombic octahedral structure and the Cu‐ligand bond shows greater disparity. The five‐membered chelate ring and the pyridine ring lie in the same plane while the six membered chelate ring assumes sofa conformation. A strong O‐H…O inter molecular interaction plays a key role in the formation of dimer along b‐axis. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
18.
Zhong-Hai Ni Hui-Zhong Kou Li-Fang Zhang Chunhua Ge Ru-Ji Wang Ai-Li Cui 《Journal of chemical crystallography》2006,36(8):465-472
Two new Cr(III) complexes, [Cr(bpb)(H2O)(OH)]·3H2O (1) and [Cr(bpb)(H2O)(N3)]·H2O (2) have been synthesized and structurally characterized. Both complexes were unexpectedly obtained as single crystals during the reactions of [Cr(bpb)(CN)2]− or [Cr(bpb)(N3)2]− with [Ni(L)](ClO4)2 (L = 3,10-dimethyl-1,3,6,8,10,12-hexaazacyclotetradecane) or MX2·nH2O (M = Cu, Ni and Mn, X = Cl− and ClO4
−). Complex 1 crystallizes in the triclinic system, space group P-1, formula CrC18H21N4O7 with a = 7.1543(17) ?, b = 12.420(3) ?, c = 12.955(3) ?, α = 115.021(5)°, β = 95.544(5)°, and γ = 101.575(5)°. Complex 2 crystallizes in the monoclinic system, space group P21/c, formula CrC18H16N7O4 with a = 11.7171(9) ?, b = 9.4999(7) ?, c = 16.8799(13) ?, and β = 97.449(2)°. Both complexes exhibit distorted octahedral coordination environment with four nitrogen atoms of bpb2− situated at the equatorial plane (Cr–N bond distances range from 1.961(3) to 2.1088(15) ?), and the remaining two trans-positions occupied by terminal ligands H2O/HO and H2O/N3 in 1 and 2, respectively. It is noteworthy that a hydrogen-bonded folded ladder-like structure involving twelve O atoms in 1 and a chair-like hexagonal hydrogen-bonded cluster containing six O atoms are formed. 相似文献
19.
R. Thirumurugan K. Vengadesan S. Shanmuga Sundara Raj G. Shanmugam H.‐K. Fun 《Crystal Research and Technology》2000,35(8):987-992
The structure of the synthesized title compound, C30H46N6O2 , was solved by using X‐ray diffraction techniques. The compound crystallized in monoclinic space group P21/n with cell dimensions a = 14.0629(7), b = 6.5696(3), c = 17.7948(8)Å, β = 111.35(2)°, V = 1531.2(1)Å3, Z = 2, Dcal = 1.134 Mgm‐3 and T = 293(2)K. The molecule possesses a center of symmetry, and hence, there is half a molecule in the asymmetric unit. The piperazine ring adopts chair conformation with the substituents at the equatorial position, subtending a dihedral angle of 88.87(1)° with the phenyl ring. The phenyloxy hydrogen is involved in an intramolecular O‐H...N type of hydrogen bond. 相似文献
20.
Jin-Kui Tang Shu-Feng Si En-Qing Gao Dai-Zheng Liao Zong-Hui Jiang Shi-Ping Yan 《Journal of chemical crystallography》2002,32(9):331-335
A new ionic complex [Ni(meso-cth)][Cr(ox)2(bpy)](H2O)(ClO4) [meso-cth = meso-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, ox = oxalato ainon, bpy = 2,2-bipyridine] was prepared and its structure was determined. The complex was found to crystallized in monoclinic space group P2(1)/n, with a = 13.6000(4) Å, b = 18.763(5) Å, c = 14.995(4) Å, =106.958(5)°, V = 3659.9(17) Å3, and Z = 4. The structure consisted of cationic [Ni(meso-cth)]2+, anionic [Cr(ox)2(bpy)]–, and perchlorate anions; the cationic [Ni(meso-cth)]2+ and anionic [Cr(ox)2(bpy)]– units were related by weak coordination bonds and hydrogen bonds. 相似文献