Your browser doesn't support javascript.
loading
Mostrar: 20 | 50 | 100
Resultados 1 - 20 de 126
Filtrar
Mais filtros










Base de dados
Intervalo de ano de publicação
1.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 8): m1018-9, 2011 Aug 01.
Artigo em Inglês | MEDLINE | ID: mdl-22090816

RESUMO

The asymmetric unit of the title complex, [Sn(4)(C(4)H(9))(8)(C(11)H(14)NO(2))(4)O(2)], consists of two crystallographically independent half-mol-ecules. The other halves are generated by crystallographic inversion centers. In each tetra-nuclear mol-ecule, both of the two independent Sn atoms are five-coordinated, with distorted trigonal-bipyramidal SnC(2)O(3) geometries. One Sn atom is coordinated by two butyl groups, one O atom of the benzoate anion and two bridging O atoms, whereas the other Sn atom is coordinated by two butyl groups, two O atoms of the benzoate anions and a bridging O atom. All the butyl groups are equatorial with respect to the SnO(3) trigonal plane. Weak intra-molecular C-H⋯O hydrogen bonds stabilize the mol-ecular structures. In one mol-ecule, two of the butyl groups and the bridging benzoate anion are each disordered over two positions.

2.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 8): m1114-5, 2011 Aug 01.
Artigo em Inglês | MEDLINE | ID: mdl-22090883

RESUMO

In the title complex, [Sn(4)(C(4)H(9))(8)(C(7)H(5)N(2)O(4))(4)O(2)], all four Sn(IV) atoms are five-coordinated with distorted trigonal-bipyramidal SnC(2)O(3) geometries. Two Sn(IV) atoms are coordin-ated by two butyl groups, one benzoate O atom and two bridging O atoms, whereas the other two Sn(IV) atoms are coordinated by two butyl groups, two benzoate O atoms and a bridging O atom. All the butyl groups are equatorial with respect to the SnO(3) trigonal plane. In the crystal, mol-ecules are linked into a two-dimensional layer parallel to the ab plane by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds and further stabilized by a π-π inter-action [centroid-centroid distance = 3.6489 (11) Å]. Intra-molecular N-H⋯O and C-H⋯O hydrogen bonds stabilize the mol-ecular structure. Two of the butyl groups are each disordered over two sets of sites with site-occupancy ratios of 0.510 (4):0.490 (4) and 0.860 (5):0.140 (5).

3.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 8): o1915, 2011 Aug 01.
Artigo em Inglês | MEDLINE | ID: mdl-22090963

RESUMO

In the title compound, C(16)H(18)N(2)O(2)S, the piperidine ring adopts a chair conformation. The central 4-thia-zolidinone ring makes dihedral angles of 12.01 (7) and 51.42 (9)°, respectively, with the benzene ring and the least-squares plane of the piperidine ring. An intra-molecular C-H⋯S hydrogen bond stabilizes the mol-ecular structure and generates an S(6) ring motif. In the crystal, mol-ecules are linked into a tape along the c axis by inter-molecular C-H⋯O hydrogen bonds.

4.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 8): o1943, 2011 Aug 01.
Artigo em Inglês | MEDLINE | ID: mdl-22090986

RESUMO

In the title compound, C(20)H(23)N(3)S, the central 1,2,4-triazole ring makes dihedral angles of 69.76 (9) and 81.69 (8)°, respectively, with the phenyl and benzene rings. In the crystal, mol-ecules are linked into a centrosymmetric dimer by a pair of inter-molecular N-H⋯S hydrogen bonds, generating an R(2) (2)(8) ring motif.

5.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 8): o2063, 2011 Aug 01.
Artigo em Inglês | MEDLINE | ID: mdl-22091088

RESUMO

In the title mol-ecule, C(24)H(21)ClN(4)OS(2), the central 1,2,4-triazole ring forms dihedral angles of 89.05 (9), 86.66 (9) and 82.70 (10)° with the chloro-substituted benzene ring, the methyl-sulfanyl-substituted benzene ring and the phenyl ring, respectively. In the crystal, mol-ecules are linked into sheets parallel to (100) by inter-molecular N-H⋯N and weak C-H⋯O hydrogen bonds.

6.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 7): o1576, 2011 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-21836987

RESUMO

In the indane ring system of the title mol-ecule, C(13)H(12)O(4), the hy-droxy-bearing C atom is 0.134 (1) Šout of the plane of the remaining essentially planar atoms (r.m.s. deviation = 0.010 Å). In the crystal, mol-ecules are linked into chains along the b axis by inter-molecular O-H⋯O hydrogen bonds. Additional stabilization is provided by weak inter-molecular C-H⋯O hydrogen bonds.

7.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 7): o1584, 2011 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-21836993

RESUMO

In the title mol-ecular salt [systematic name: 3-(5H-di-benzo[a,d]cyclo-hepten-5-yl-idene)-N,N-dimethyl-1-propanaminium 2-hy-droxy-benzoate], C(20)H(22)N(+)·C(7)H(5)O(3) (-), the benzene rings of the cyclo-benzaprinium cation are inclined with a dihedral angle of 61.66 (7)°. An intra-molecular O-H⋯O hydrogen bond occurs within the salicylate anion, generating an S(6) ring. In the crystal, the cation and anion are linked by an N-H⋯O inter-action.

8.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 7): o1719-20, 2011 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-21837111

RESUMO

The asymmetric unit of the title xanthene compound, C(25)H(30)O(5), contains two mol-ecules in which the pyran ring and the dimeth-oxy-phenyl ring are nearly perpendicular to one another [dihedral angles = 86.81 (8) and 84.45 (9)°]. One of the meth-oxy groups in one mol-ecule is twisted away from the phenyl ring [C-O-C-C torsion angle = -103.40 (16)°]. The pyran ring adopts a boat conformation whereas the two fused cyclo-hexane rings adopt envelope conformations in both mol-ecules. In the crystal, mol-ecules are linked into a three-dimensional network by C-H⋯O hydrogen bonds.

9.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 7): o1721-2, 2011 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-21837112

RESUMO

In the title solvated benzimidazole compound, C(20)H(15)N(3)O(2)·C(2)H(6)OS, both the benzimidazole fused-ring system and the complete dimethyl sulfoxide solvent mol-ecule are disordered over two sets of sites, in 0.750 (5):0.250 (5) and 0.882 (4):0.118 (4) ratios, respectively. The conformation of the pyrimidine ring is close to a half-chair for the major disorder component, whereas for the minor component it is close to a boat. The dihy-droxy-phenyl ring is almost perpendicular to the mean plane of the benzimidazole ring [dihedral angle = 87.3 (2)° for the major disorder component and 88.3 (5)° for the minor disorder component]. In the crystal, mol-ecules are linked into layers parallel to (110) by O-H⋯N and C-H⋯O hydrogen bonds. A bifurcated O-H⋯(O,S) bond links the benzimidazole and solvent mol-ecules.

10.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 7): o1723, 2011 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-21837113

RESUMO

The asymmetric unit of the title compound, C(15)H(10)BrClO(3), consists of three crystallographically independent mol-ecules. The dihedral angles between the benzene rings in the three mol-ecules are 68.8 (2), 0.7 (3) and 66.1 (2)°. In the crystal, the three independent mol-ecules are inter-connected by C-H⋯O hydrogen bonds, leading to isolated trimers.

11.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 7): o1786, 2011 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-21837159

RESUMO

The asymmetric unit of the title compound, C(9)H(11)N(3)O(3), consists of two crystallographically independent mol-ecules. Both mol-ecules are almost planar, with r.m.s. deviations of 0.107 and 0.099 Å. In the crystal, the two independent mol-ecules form a dimer with an R(2) (2)(8) ring motif via N-H⋯O hydrogen bonds. The dimers are further linked into a three-dimensional network by O-H⋯O and N-H⋯O hydrogen bonds.

12.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 6): o1449, 2011 Jun 01.
Artigo em Inglês | MEDLINE | ID: mdl-21754824

RESUMO

In the title compound, C(21)H(22)O(5), the mean planes of the pyran and dimeth-oxy-phenyl rings are nearly perpendicular to one another, with the dihedral angle between them being 88.21 (8)°. The pyran ring adopts a boat conformation whereas the two fused cyclo-hexane rings adopt envelope conformations. In the crystal, mol-ecules are linked into a three-dimensional network by inter-molecular C-H⋯O hydrogen bonds.

13.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 4): m427-8, 2011 Apr 01.
Artigo em Inglês | MEDLINE | ID: mdl-21753954

RESUMO

In the title compound, [Au(2)Cl(2)(C(30)H(32)As(2))], each Au atom is coordinated by As and Cl atoms in an approximately linear geometry. In the crystal, mol-ecules are linked into two-dimensional networks parallel to the ac plane via inter-molecular C-H⋯Cl inter-actions. One of the phenyl rings is disordered over two positions, with site occupancies of 0.518 (8) and 0.482 (8).

14.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 5): m545-6, 2011 May 01.
Artigo em Inglês | MEDLINE | ID: mdl-21754283

RESUMO

The asymmetric unit of the title triangulo-triruthenium compound, Ru(3)(CO)(9)(µ-Ph(2)AsCH(2)AsPh(2))(P[OCH(CH(3))(2)](3)) or [Ru(3)(C(25)H(22)As(2))(C(9)H(21)O(3)P)(CO)(9)], contains two mol-ecules of the triangulo-triruthenium complex. The bis-(diphenyl-arsanyl)methane ligand bridges an Ru-Ru bond and the monodentate phosphite ligand binds to the third Ru atom. Both the arsine and phosphite ligands are equatorial with respect to the Ru(3) triangle. Additionally, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The dihedral angles between the pairs of benzene rings bound to individual As atoms are 85.67 (8) and 75.91 (8) in the first independent mol-ecule and 74.64 (8) and 70.76 (9) in the second. In the crystal, mol-ecules are linked into a three-dimensional framework by inter-molecular C-H⋯O hydrogen bonds.

15.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 2): m175-6, 2011 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-21522851

RESUMO

The asymmetric unit of the title triangulo-triruthenium compound, [Ru(3)(C(21)H(21)AsO(3))(C(26)H(24)P(2))(CO)(9)]·CHCl(3), consists of one mol-ecule of the triangulo-triruthenium complex and one chloro-form solvent mol-ecule. The bis(diphenyl-phosphan-yl)ethane ligand bridges an Ru-Ru bond and the monodentate arsane ligand bonds to the third Ru atom. Both the arsane and phosphine ligands are equatorial with respect to the Ru(3) triangle. Additionally, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three arsane-substituted benzene rings make dihedral angles of 52.72 (19), 63.03 (19) and 88.19 (19)° with each other. The dihedral angles between the two benzene rings are 85.8 (2) and 89.2 (2)° for the two diphenyl-phosphanyl groups. In the crystal, mol-ecules are linked together into a three-dimensional network via inter-molecular C-H⋯O hydrogen bonds. Weak inter-molecular C-H⋯π inter-actions further stabilize the crystal structure.

16.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 2): m177-8, 2011 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-21522852

RESUMO

The asymmetric unit of the title triangulo-triruthenium compound, [Ru(3)(C(26)H(24)P(2))(C(18)H(15)Sb)(CO)(9)], consists of two crystallographically independent mol-ecules, A and B. The bis-(diphenyl-phosphan-yl)ethane ligand bridges an Ru-Ru bond and the monodentate stibine ligand bonds to the third Ru atom. Both the stibine and phosphine ligands are equatorial with respect to the Ru(3) triangle. Additionally, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three stibine-substituted benzene rings make dihedral angles of 38.7 (3), 71.5 (3) and 70.0 (3)° with each other in mol-ecule A whereas these angles are 83.9 (3), 88.2 (3) and 56.8 (3)° in mol-ecule B. Similarly, the dihedral angles between the two benzene rings are 80.7 (3) and 87.6 (3)° for the two diphenyl-phosphanyl groups in mol-ecule A and 84.0 (3) and 72.6 (4)° in mol-ecule B. In the crystal, mol-ecules are linked into tetra-mers via inter-molecular C-H⋯O hydrogen bonds. Weak inter-molecular C-H⋯π inter-actions further stabilize the crystal structure.

17.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 2): m179-80, 2011 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-21522853

RESUMO

In the title triangulo-triruthenium compound, [Ru(3)(C(25)H(22)As(2))(C(19)H(17)PS)(CO)(9)], the bis-(diphenyl-arsanyl)methane ligand bridges an Ru-Ru bond and the monodentate phosphane ligand bonds to the third Ru atom. Both arsine and phosphane ligands are equatorial with respect to the Ru(3) triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three phosphane-substituted benzene rings make dihedral angles of 57.91 (19), 84.31 (15) and 59.37 (18)° with each other. The dihedral angles between the two benzene rings are 60.9 (2) and 85.40 (18)° for the two diphenyl-arsanyl groups. In the crystal, mol-ecules are linked into a three-dimensional framework by inter-molecular C-H⋯O hydrogen bonds. Weak inter-molecular C-H⋯π inter-actions stabilize the crystal structure.

18.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 2): m195-6, 2011 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-21522863

RESUMO

In the title compound, [Ru(3)(C(29)H(30)P(2))(C(19)H(17)PS)(CO)(9)]·0.25CH(2)Cl(2), the atoms of the dichloro-methane solvent mol-ecule have a fractional site occupancy of 0.25; the dichloro-methane mol-ecule is disordered about an inversion centre. The bis-(di-o-tolyl-phosphan-yl)methane ligand bridges an Ru-Ru bond and the monodentate phosphane ligand bonds to the third Ru atom; its S-bonded phenyl ring is disordered over two orientations in a 0.53 (4):0.47 (4) ratio. All the P atoms are equatorial with respect to the Ru(3) triangle: each Ru atom also bears one equatorial and two axial terminal carbonyl ligands. The dihedral angles between the two benzene rings attached to each P atom of the diphenyl-phosphanyl ligand are 68.4 (2) and 71.5 (2)°. In the crystal, mol-ecules are linked into [001] chains via inter-molecular C-H⋯O hydrogen bonds. Weak inter-molecular C-H⋯π inter-actions also occur.

19.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 2): m197-8, 2011 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-21522864

RESUMO

The asymmetric unit of the title compound, [Ru(3)(C(29)H(30)P(2))(CO)(10)].1/8CH(3)OH, contains two triangulo-triruthenium mol-ecules with similar configurations and a methanol solvent mol-ecule (fractional site occupancy for the latter = 0.25). The bis-(di-o-tolyl-phosphan-yl)methane ligand bridges an Ru-Ru bond and its P atoms are equatorial with respect to the Ru(3) triangle. The phosphine-substituted Ru atoms each bear one equatorial and two axial terminal carbonyl ligands whereas the unsubstituted Ru atom carries two equatorial and two axial terminal carbonyl ligands. The dihedral angles between the two benzene rings attached to each P atom are 76.26 (13) and 74.76 (15)° for the first mol-ecule and 77.21 (13) and 75.68 (14)° for the second. In the crystal, mol-ecules are linked into [001] chains via inter-molecular C-H⋯O hydrogen bonds. Weak inter-molecular C-H⋯π inter-actions also occur.

20.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 2): m214-5, 2011 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-21522877

RESUMO

In the title triangulo-triruthenium compound, [Ru(3)(C(25)H(22)As(2))(C(36)H(27)As)(CO)(9)], the bis-(diphenyl-arsan-yl)methane ligand bridges an Ru-Ru bond and the monodentate arsine ligand bonds to the third Ru atom. Both arsine ligands are equatorial with respect to the Ru(3) triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The phenyl rings of biphenyl are twisted from each other by dihedral angles of 50.5 (2), 44.5 (2) and 27.8 (2)°. The arsine-substituted phenyl rings make dihedral angles of 61.56 (18), 89.36 (18) and 83.27 (18)° with each other. The dihedral angles between the two benzene rings are 87.5 (2) and 81.95 (19)° for the two diphenyl-arsanyl groups. In the crystal, mol-ecules are linked into dimers by inter-molecular C-H⋯O hydrogen bonds. Weak inter-molecular C-H⋯π and π-π [centroid-centroid distance = 3.601 (3) Å] inter-actions stabilize the crystal structure.

SELEÇÃO DE REFERÊNCIAS
DETALHE DA PESQUISA
...