共查询到20条相似文献,搜索用时 15 毫秒
1.
Compounds 4-(oxiran-2-ylmethoxy)benzoic acid (2) and 4-acetoxybenzoic acid (4) are synthesized by a new synthetic route and studied by X-ray crystallography. Compound 2 crystallizes in the monoclinic system, P21/n space group, a = 5.1209(2) ?, b = 30.3429(16) ?, c = 5.9153(3) ?, β = 96.725(3)°, V = 912.81(8) ?3, Z = 4. Compound 4 crystallizes in the triclinic system, P-1 space group, a = 7.3400(4) ?, b = 8.0819(3) ?, c = 15.6548(9) ?, α = 85.754(3)°, β = 84.268(2)°, γ = 70.023(3)°, V = 867.63(8) ?3, Z = 4. The crystal structure of 2 comprises two crystallographically independent molecules of the compound. In the crystal structures of 2 and 4, pairs of molecules form carboxyl dimers. 相似文献
2.
A new mononuclear complex Mn(bbbi)2(H2O)4(ClO4)2·(bbbi)2·(H2O)2 1 (bbbi = 1,4-bis(benzimidazol-1-yl)-2-butene) is synthesized under hydrothermal conditions and characterized by IR spectroscopy, elemental analysis, and single crystal X-ray structural analysis. Crystal data for 1: triclinic, , a = 8.8478(7) ?, b = 15.0550(11) ?, c = 16.4310(12) ?, α = 108.657(7)°, β = 104.044(7)°, Γ = 99.317(7)°, V = 1942.2(3) ?3, Z = 1, final R = 0.0621. Each manganese atom is octahedrally coordinated by four aqua ligands and two nitrogen atoms of two distinct bbbi ligands. The molecule is stabilized by hydrogen bonding and π…π interactions. 相似文献
3.
S. P. Khranenko E. A. Shusharina S. A. Gromilov A. I. Smolentsev 《Journal of Structural Chemistry》2009,50(6):1201-1203
At T = 150 K, the crystal structure of [Cu(NH3)4](ReO4)2 is studied: a = 6.5167(3) ?, b = 6.7790(3) ?, c = 7.4627(3) ?, α = 67.336(1)°, β = 80.004(1)°, γ = 70.687(1)°, V = 286.70(2) ?3, P-1 space group, Z = 1, d
x = 3.661 g/cm3. We analyze the packing of ions using the translation sublattice isolation technique. 相似文献
4.
N. V. Kuratieva V. S. Tkach D. S. Suslov M. V. Bykov S. A. Gromilov 《Journal of Structural Chemistry》2011,52(4):813-815
A single crystal X-ray diffraction study is carried out for [Pd(P(i-Pr)3)2(acac)]BF4, T = 150(2) K. Crystal data: a = 10.2935(4) ?, b = 11.3591(5) ?, c = 13.8728(6) ?, α = 89.154(2)°, β = 68.448(1)°, γ = 85.032(1)°, P-1 space group, V = 1502.75(11) ?3, Z = 2, d
x = 1.354 g/cm3. 相似文献
5.
The crystals of 2-(6-chloro-4-(p-tolylamino)pyrido[3,2-d]pyrimidin-1-ium-1-yl)acetate (zwitterionic form) oxonium bromide, C16H13ClN4O2·Br−·H3O+ (I) were prepared and studied by single-crystal X-ray diffraction method. The compound crystallizes in the triclinic space group
P-1 with a = 8.3121(8) ?, b = 9.3885(8) ?, c = 13.2903(12)?, α = 106.788(2)°, β = 95.204(3)°, γ = 110.871(2)°, V = 905.81(14) ?3, Z = 2; final R = 0.053, wR2 = 0.150. It is interesting that methylene C in the BrCH2COOH molecule binds to the N1 of the pyrimidine ring. In the crystal studied, two neighboring organic molecules are connected
by hydrogen bonds through carboxylate oxygen, oxonium and bromide ions to form a dimer. 相似文献
6.
X. Jiang H. Xia G. Yan B. Tao Y. -F. Zhu X. Wang 《Journal of Structural Chemistry》2012,53(4):776-779
The crystal structure of the macrocyclic complex [Ni(PCHA)](ClO4)2 (II) (PCHA = 4-methyl-1,3,5,8,11,14-hexaazatricyclooctadecane) is described. In the presence of succinate acid, [Ni(PCHA)](ClO4)2 (II) is obtained by recrystallization of orange crystals of [Ni(PCHA)](ClO4)2 (I), whose structure has previously been identified. The [Ni(PCHA)](ClO4)2 (II)crystal belongs to the monoclinic P2(1)/c space group with a = 15.8561(3) ?, b = 9.4409(2) ?, c = 13.9297(2) ?, α = 90°, β = 94.8840(10)°, γ = 90°, M r = 526.02, Z = 4, V = 2077.65(7) ?3. The structure is ionic with [Ni(L)]2+ and two perchlorate anions with a supermolecular interaction. 相似文献
7.
J. W. Yuan L. B. Qu X. L. Chen Z. B. Qu Y. C. Li 《Journal of Structural Chemistry》2011,52(5):989-992
2-(4-Chlorophenyl)-5,7-dimethoxyquinolin-4-yl phenyl bis(2-chloroethyl)phosphoramidate is synthesized and characterized by
NMR, IR and single crystal X-ray crystallography. The crystal is triclinic, P[`1]P\bar 1 space group, with a = 9.5188(19) ?, b = 12.856(3) ?, c = 13.250(3) ?, V = 1412.0(5) ?)3, and Z = 2 (at 291(2) K). The crystal packing arrangement indicates that the molecule is stacked through π...π aromatic stacking
interactions. 相似文献
8.
Wiesława Wołodkiewicz Tadeusz Głowiak 《Monatshefte für Chemie / Chemical Monthly》2000,131(7):711-719
Summary. The reaction products of Co(II)-2,3- and -2,5-dichlorobenzoate with imidazole (1, 2; CoL
2⋯2imdċ2H2O, L=C7H3Cl2O, imd=imidazole) were characterized by their spectroscopic and thermochemical properties. The compounds crystallize in the monoclonic
system with space group = P21/c, a=13.848(3), b=12.841(3) ?, c= 7.064(2) ?, β=98.12 °, V=1243.5(4) ?3, Z=2 for 1 and space group =P21/n, a=13.293(3), b= 6.964(2), c=13.800(3) ?, β=108.92(3) °, V=1208.6(4) ?3, Z=2 for 2. The complexes lose their crystal water in one step at 333 K and subsequently decompose to CoO with intermediate formation
of Co3O4.
Received August 9, 1999. Accepted (revised) February 11, 2000 相似文献
9.
E. A. Shusharina A. A. Rybinskaya P. E. Plyusnin Yu. V. Shubin S. V. Korenev S. A. Gromilov 《Journal of Structural Chemistry》2011,52(3):621-624
An XRD analysis is used to study the single crystal of [Pd(NH3)4][Rh(NH3)(NO2)5] double complex salt at T = 150(2) K. Crystallographic characteristics are as follows: a = 7.6458(5) ?, b = 9.8813(6) ?, c = 9.5788(7) ?, β = 109.469(2)°, V = 682.30(8) ?3, P21/m space group, Z = 2, d
x = 2.553 g/cm3. The geometry of the complex [Rh(NH3)(NO2)5]2− anion is described for the first time: Rh-N(NO2) distances are 2.020(4)–2.060(3) ?, Rh-N(NH3) 2.074(4) ?, N(NO2)-Rh-N(NH3) trans-angle is 178.8(2)°. 相似文献
10.
The reaction products of Co(II)-2,3- and -2,5-dichlorobenzoate with imidazole (1, 2; CoL 2⋯2imdċ2H2O, L=C7H3Cl2O, imd=imidazole) were characterized by their spectroscopic and thermochemical properties. The compounds crystallize in the monoclonic system with space group = P21/c, a=13.848(3), b=12.841(3) ?, c= 7.064(2) ?, β=98.12 °, V=1243.5(4) ?3, Z=2 for 1 and space group =P21/n, a=13.293(3), b= 6.964(2), c=13.800(3) ?, β=108.92(3) °, V=1208.6(4) ?3, Z=2 for 2. The complexes lose their crystal water in one step at 333 K and subsequently decompose to CoO with intermediate formation of Co3O4. 相似文献
11.
The title compound (C20H18FN3O2, Mr = 351.37) is prepared and its crystal structure is determined by single crystal X-ray diffraction. The crystal is tetragonal,
the P-42(1)c space group with a = 11.0922(6) ?, b = 11.0922(6) ?, c = 28.6271(15) ?, V = 3522.2(3) ?3, Z = 8, d
x
= 1.325 g/cm3, F(000) = 1472, μ = 0.095 mm−1, MoK
α radiation (λ = 0.71073), R = 0.0505, wR = 0.1090 for 2433 observed reflections with I > 2σ(I). The X-ray diffraction analysis reveals that all ring atoms in the benzo[4,5]furo[3,2-d]pyrimidinone moieties are almost
coplanar. 相似文献
12.
F. Güntepe H. Sara?o?lu N. ?al?skan ?. Yüksektepe A. ?ukuroval? 《Journal of Structural Chemistry》2011,52(3):596-601
The title compound 2-{[3-Methyl-3-phenyl-cyclobutyl)-thiazol-2-yl]-hydrazonomethyl}-phenol (C21H21N3S1O1) crystallizes in the P-1 triclinic space group with a = 5.8880(4) ?, b = 9.5618(5) ?, c = 17.0484(10) ?, α = 80.214(5)°, β = 80.532(5)°, γ = 80.116(5)°. In addition to molecular geometry and packing from X-ray experiment, we have
also calculated the molecular geometry and vibrational frequencies of the title compound in the ground state using density
functional theory DFT (B3LYP) with the 6–31G(d,p) basis set. Apart from this, the structure of the title compound is characterized by 1H NMR, 13C NMR, IR and UV-vis. Spectra, and the experimental emission energies are compared with the HOMO-LUMO energy gaps calculated
by the DFT method. 相似文献
13.
P. E. Plyusnin E. Yu. Semitut I. A. Baidina S. V. Korenev 《Journal of Structural Chemistry》2011,52(2):383-388
The crystal structures of double complex salts [M(NH3)5Br][AuBr4]2·H2O (M = Ir, Rh) are determined by single crystal XRD. The compounds crystallize in the triclinic system, P-1 space group, Z = 4. Crystallographic characteristics: [Ir(NH3)5Br][AuBr4]2·H2O: a = 8.2982(3) ?, b = 15.3045(4) ?, c = 17.4378(6) ?, α = 73.064(1)°, β = 88.938(1)°, γ = 86.221(1)°, V = 2113.95(12) ?3, d
x = 4.419 g/cm3, R = 0.0469; [Rh(NH3)5Br][AuBr4]2·H2O: a = 8.2855(2) ?, b = 15.2881(3) ?, c = 17.4053(4) ?, α = 73.015(1)°, β = 88.913(1)°, γ = 86.267(1)°, V = 2104.08(8) ?3, d
x = 4.165 g/sm3, R = 0.0480. The crystal structure of [Ir(NH3)5Br]Br2 is determined. The compound crystallizes in the orthorhombic system, Pnma space group, Z = 4. Crystallographic characteristics: a = 13.8521(3) ?, b = 10.8570(2) ?, c = 6.9908(1) ?, V = 1049.31(3) ?3, d
x = 3.273 g/cm3, R = 0.0127. 相似文献
14.
Y. Kim H. G. Koo D. H. Shin L. O. Park J. H. Lee H. G. Jang C. Kim 《Journal of Structural Chemistry》2010,51(2):382-385
In the crystal of K4[Zn(Citrate)2], two citrate anions coordinate Zn(II) cation with octahedral geometry in the [Zn(Citrate)2]4− complex anion, and the charge is balanced by four potassium ions. Crystal data: monoclinic, P21/c, a = 8.502(2) ?, b = 13.210(3) ?, c = 8.942(2) ?, β = 113.132(4)°, V = 923.5(4) ?3, Z = 2, R = 0.0229. 相似文献
15.
V. I. Sokol V. V. Davydov N. Yu. Merkureva E. I. Polyakova Yu. V. Shklyaev V. S. Sergienko 《Russian Journal of Inorganic Chemistry》2007,52(10):1541-1550
The coordination compound [Cu3(μ3-OH)(μ-L)3(NO3)2(H2O)] · 2H2O (I), where L is the α-(3,3-dimethyl-3,4-dihydro-1-isoquinolyl)hydroxyiminoacetonitrile anion, has been synthesized. The crystal
and molecular structure of I was determined by X-ray diffraction (Enraf-Nonius CAD4, MoK
α radiation, graphite monochromator, ω-scan mode, 2θmax = 49.96°, 7673 unique reflections, a = 12.745(3) ?, b = 13.726(3) ?, c = 28.835(6) ?, β = 93.44(3)°, V = 5035.2(17) ?3, Z = 4, space group P21/c). In the trimer complex I, the copper atoms are combined by a bridging hydroxy group. The copper atoms are additionally linked pairswise by three tridentate
chelating bridging organic anions coordinated to the Cu(II) atoms by the N and O atoms of the deprotonated oxime group and
by the N atom of the dihydroisoquinoline moiety.
Original Russian Text ? V.I. Sokol, V.V. Davydov, N. Yu. Merkur’eva, E.I. Polyakova, Yu.V. Shklyaev, V.S. Sergienko, 2007,
published in Zhurnal Neorganicheskoi Khimii, 2007, Vol. 52, No. 10, pp. 1643–1652. 相似文献
16.
At T = 150 K the crystal structure of [Cu(en)2] (ReO4)2 (en is ethylenediamine) is studied: a = 6.6229(1) ?, b = 14.2968(3) ?, c = 7.4859(2) ?, β = 102.415(1)°, V = 692.24(3) ?,3, P21/c space group, Z = 2, d
x
= 3.282 g/cm3. Packing of complex cations is shown to be single layered and pseudohexagonal. Perrhenate anions are located between these
layers and additionally coordinate copper atoms with Cu...O distances being 2.504(3) ?. 相似文献
17.
Yu. V. Kokunov Yu. E. Gorbunova V. V. Kovalev 《Russian Journal of Inorganic Chemistry》2009,54(10):1603-1610
New complex chlorides [ZnCl2(ODA)] (I) (ODA=oxydianiline, C12H12N2O) and [ZnCl2(H2O)2](Me4Pyz)2 (II) (Me4Pyz = 2,3,5,6-tetramethylpyrazine) were synthesized and crystallographically characterized. Crystals of I are monoclinic, space group C2/c, a = 22.682(2) ?, b = 12.646(1) ?, c = 9.951(1) ?, β = 93.23(2)°, V = 2849.7(5) ?3, ρcalc = 1.569 g/cm3, Z = 8. Structure I contains cyclic fragments consisting of two tetrahedral complexes (ZnCl2N2) and two coordinated bridging oxydianiline ligands. Crystals of II are monoclinic, space group P2(1)/c, a = 8.972(2) ?, b = 13.862(3) ?, c = 17.528(4) ?, β = 101.72(3)°, V = 2134.5(7) ?3, ρcalc = 1.384 g/cm3, Z = 4. In structure II, supramolecular pseudo-metallocycles are formed due to formation of hydrogen bonds O(w)-H…N between coordinated water molecules
and noncoordinated nitrogen atoms of tetramethylpyrazine molecules. 相似文献
18.
S. I. Dorovskikh D. A. Piryzev A. I. Smolentsev N. B. Morozova 《Journal of Structural Chemistry》2012,53(3):610-613
The structure of the complex of nickel(II) bis-(1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedionate) with 1,3-diaminopropane is determined by single crystal X-ray diffraction at a temperature of 150 K. Crystallographic data for C20H34F6N2NiO5: a = 17.5446(8) ?, b = 18.1171(10) ?, c = 18.6654(7) ?, β = 115.4150(10)°, space group C2/c, V = 5358.8(4) ?3, Z = 8, d calc = 1.376 g/cm3, R = 0.0435. The structure is molecular; the metal atom coordinates four oxygen atoms of two β-diketonate ligands and two nitrogen atoms of propylenediamine. In the crystal, the molecules are bonded only by van der Vaals interactions. 相似文献
19.
Yu. V. Kokunov V. V. Kovalev Yu. E. Gorbunova 《Russian Journal of Inorganic Chemistry》2008,53(11):1718-1723
The [Ni(DDM)2(NO3)2(H2O)2] complex (DDM is 4,4-diaminodiphenylmethane [CH2(C6H4NH2)2]) is synthesized, and its structure is determined. The crystals are triclinic, space group P
, a = 5.846(1) ?, b = 9.450(2) ?, c = 13.390(3) ?, α = 105.63(3)°, β = 98.13(3)°, γ = 105.84(3)°, V = 666.6(2) ?3, ρcalcd = 1.553 g/cm3, Z = 2. The Ni(II) ion (in the inversion center) is bound to a distorted octahedral array formed by the nitrogen atoms of the
primary amino groups of the DDM molecules and the oxygen atoms of the monodentate nitrato groups and water molecules (Ni(1)-N(3)
2.119(2) ?, Ni(1)-O(1) 2.122(2) ?, Ni(1)-O(w) 2.047(2) ?, angles at the Ni atoms vary in the 85.08(9)°–94.92(9)° interval).
The structure contains supramolecular metallacycles formed by the O(w)-H…N(2) hydrogen bonds between the coordinated H2O molecules and the terminal amino groups of DDM. The metallacycles are joined by the Ni2+ ions into infinite chains running in the [111] direction.
Original Russian Text ? Yu.V. Kokunov, V.V. Kovalev, Yu.E. Gorbunova, 2008, published in Zhurnal Neorganicheskoi Khimii, 2008,
Vol. 53, No. 11, pp. 1838–1843. 相似文献
20.
S. A. Talipov M. T. Khonkeldieva L. Yu. Izotova Z. G. Tilyakov B. T. Ibragimov 《Journal of Structural Chemistry》2011,52(1):186-192
Gossypol forms stable solvates with 4- and 2-picolines at room temperature. The solvates are investigated by single crystal
X-ray diffraction and thermal analysis. Solvate crystals of gossypol with 4-picoline (1) have the 1:3 composition (gossypol:4-picoline) and crystallize in the P21/c space group. This substance is isostructural to a trisolvate of gossypol with pyridine. Solvate crystals of gossypol with
2-picoline (2) have the 1:4 composition (gossypol:2-picoline) and crystallize in the P-1 space group. The unit cell parameters for the investigated structures are as follows: 1 monoclinic crystals, C30H30O8·3C6H7N, a = 10.7530(1) ?, b = 20.7834(3) ?, c = 19.1166(2) ?, β = 95.537(1)°, V = 4252.32(9) ?3, M = 797.92, Z = 4, d
x = 1.246 g/cm3, and R = 0.0489 for 4102 reflections; 2 triclinic crystals, C30H30O8·4C6H7N, a = 11.467(1) ? b = 14.962(2) ?, c = 15.570(3) ?, α = 75.62(1)°, β = 69.83(1)°, γ = 79.58(1)°, V = 2414.6(7) ?3, M = 891.04, Z = 2, d
x = 1.226 g/cm3, and R = 0.0528 for 3779 reflections. The results of the single crystal XRD and thermal analysis confirm that gossypol with 4-picoline
forms a trisolvat, and a tetrasolvate with 2-picoline. The transition from 4-picoline to 2-picoline proves to change the type
of the host-guest association from one-dimensional to zero-dimensional, i.e., to lead to a new crystal structure. Desolvation
of compound 2 begins at a lower temperature than that for compound 1, which is explained by their different crystal structures. Keywords: gossypol, 4-picoline, 2-picoline, clathrate formation,
crystal structure. 相似文献