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1.
Acta Crystallogr Sect E Struct Rep Online ; 69(Pt 4): o488, 2013 Apr 01.
Artigo em Inglês | MEDLINE | ID: mdl-23634040

RESUMO

In the title compound, C13H13BrO4S, both C=C double bonds adopt an E conformation. The S atom has a distorted tetra-hedral geometry with bond angles ranging from 102.17 (13) to 119.77 (14)°. The ethyl acrylate substituent adopts an extented conformation with all torsion angles close to 180°. In the crystal, mol-ecules are linked into centrosymmetric R 2 (2)(14) dimers via pairs of C-H⋯O hydrogen bonds.

2.
Artigo em Inglês | MEDLINE | ID: mdl-24427029

RESUMO

In the title compound, C13H12Cl2O4S, both C=C double bonds adopt an E conformation. The S atom has a distorted tetra-hedral geometry with bond angles ranging from 103.03 (12) to 118.12 (13)°. The eth-oxy-carbonyl group is disordered over two sets of sites, with site-occupancy factors of 0.739 (11) and 0.261 (11). In the crystal, C-H⋯O inter-actions link the mol-ecules into chains mol-ecules running parallel to the a axis.

3.
Acta Crystallogr Sect E Struct Rep Online ; 69(Pt 2): o182, 2013 Feb 01.
Artigo em Inglês | MEDLINE | ID: mdl-23424467

RESUMO

In the title compound, C(26)H(27)ClN(3)O(3)P, the mean plane of the central pyrazole ring forms a dihedral angle of 71.37 (14)° with the chloro-phenyl ring. In the crystal, mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming inversion dimers with R(2) (2)(10) ring motifs. The 3-phenyl ring is disordered with four C atoms occupying two sets of sites with an occupancy ratio of 0.748 (4):0.252 (4).

4.
Acta Crystallogr Sect E Struct Rep Online ; 69(Pt 2): o267-8, 2013 Feb 01.
Artigo em Inglês | MEDLINE | ID: mdl-23424543

RESUMO

In the title compound, C(28)H(22)O(6), the chromeno ring system is almost planar, with a dihedral angle between the mean planes of the pyran and benzene rings of 1.87 (8)°. The pyran ring bearing the methyl-phenyl substituent has a half-chair conformation while the other pyran ring has an envelope conformation with the tetra-substituted C atom as the flap. The benzene ring of the chromeno ring system is inclined to the benzene ring fused to the latter pyran ring by 74.66 (9)°. These aromatic rings are inclined to the 4-methyl-phenyl ring by 52.67 (9) and 66.63 (10)°, respectively. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane.

5.
Acta Crystallogr Sect E Struct Rep Online ; 69(Pt 4): o466, 2013 Apr 01.
Artigo em Inglês | MEDLINE | ID: mdl-23634025

RESUMO

In the title compound, C22H24N2O6, the indole ring has a twist conformation and the tetra-hydro-2H-pyran-2-one ring a half-chair conformation. One of the pyrrolidine rings adopts an envelope conformation on the N atom, while the other has a twist conformation; the 'butterfly' angle between their mean planes is 62.98 (11)°. The dioxolane ring adopts a twist conformation and the tetra-hydro-furan ring has an envelope conformation on the C atom in the fused tetra-hydro-2H-pyran-2-one ring adjacent to the O atom of the tetra-hydro-furan ring. The 'butterfly' angle between the mean planes of these two five-membered rings is 69.14 (10)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, forming chains along the a axis.

6.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 10): o2937, 2012 Oct 01.
Artigo em Inglês | MEDLINE | ID: mdl-23125723

RESUMO

In the crystal structure of the title salt, C(11)H(16)NO(2) (+)·Cl(-), the cations and anions are linked by O-H⋯Cl hydrogen bonds. The structure is further stabilized by weak C-H⋯Cl hydrogen bonds.

7.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 7): o2265, 2012 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-22798913

RESUMO

The C=C double bonds in the title compound, C(28)H(27)NO(4), adopt an E conformation. In the crystal, pairs of C-H⋯O hydrogen bonds link the mol-ecules into inversion dimers.

8.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 7): o2283, 2012 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-22798927

RESUMO

In the crystal structure of the title compound, C(16)H(12)ClNOS, the mol-ecules are linked into centrosymmetric R(2) (2)(8) dimers via pairs of N-H⋯O hydrogen bonds. The seven-membered ring adopts a boat conformation.

9.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 8): o2329, 2012 Aug 01.
Artigo em Inglês | MEDLINE | ID: mdl-22904801

RESUMO

In the crystal structure of the title compound, C(16)H(13)NOS, mol-ecules are linked into cyclic centrosymmetric R(2) (2)(8) dimers via pairs of N-H⋯O hydrogen bonds. The seven-membered ring adopts a boat conformation.

10.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 7): o2199, 2012 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-22798862

RESUMO

Mol-ecules of the title compound, C(21)H(24)O(4), are located on a twofold rotation axis running through the central methyl-ene C atom. The aldehyde group is coplanar with the benzene ring [C-C-C-O = 175.7 (4) °].

11.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 3): o570, 2012 Mar 01.
Artigo em Inglês | MEDLINE | ID: mdl-22412487

RESUMO

In the title compound, C(18)H(16)N(2)O(2), the hy-droxy-ethanimine group is essentially coplanar with the ring to which it is attached (C-C-N-O torsion angle = -176.9°). Mol-ecules are linked into cyclic centrosymmetric R(2) (2)(6) dimers via O-H⋯N hydrogen bonds.

12.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 3): o608, 2012 Mar 01.
Artigo em Inglês | MEDLINE | ID: mdl-22412521

RESUMO

In the title compound, C(18)H(17)NO(4), the hy-droxy-ethanimine group is essentially coplanar with the ring to which it is attached [C-C-N-O torsion angle = 179.94 (14)°]. The mol-ecules are linked into cyclic centrosymmetric R(2) (2)(6) dimers via O-H⋯N hydrogen bonds and the crystal packing is further stabilized by C-H⋯O inter-actions.

13.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 5): o1554, 2012 May 01.
Artigo em Inglês | MEDLINE | ID: mdl-22590415

RESUMO

In the title compound, C(26)H(27)BrN(3)O(3)P, the central pyrazole ring forms a dihedral angle of 71.7 (2)° with the bromo-phenyl ring. In the crystal, mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming inversion dimers with R(2) (2)(10) ring motifs. Four C atoms of the 3-phenyl ring are disordered over two sets of sites [site occupancies = 0.745 (6) and 0.225 (6)].

14.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 4): o1093, 2012 Apr 01.
Artigo em Inglês | MEDLINE | ID: mdl-22589955

RESUMO

In the title compound, C(13)H(14)O(4)S, both C=C double bonds adopt an E conformation. In the crystal, mol-ecules are linked into centrosymmetric R(2) (2)(14) dimers via pairs of C-H⋯O hydrogen bonds.

15.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 11): o3061, 2011 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-22220070

RESUMO

In the title compound, C(16)H(13)NOS, the seven-membered ring adopts a distorted half-chair conformation. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, forming chains running along the b axis. The crystal packing is further stabilized by C-H⋯O inter-actions.

17.
Dalton Trans ; 47(18): 6274-6278, 2018 May 08.
Artigo em Inglês | MEDLINE | ID: mdl-29568832

RESUMO

This study demonstrates the first synthesis of cyclic (alkyl)(amino)carbene (cAAC) adducts of Hg(ii), [cAACMe·HgBr(µ-Br)]2 (1a) and [cAACcy·HgBr(µ-Br)]2 (1b). Adduct 1b catalyzes intermolecular hydroamination of aromatic alkynes and amines under mild conditions to afford aromatic imines. The quest to prepare an electrophilic Hg(ii) complex resulted in the synthesis of cationic [(cAACcy)2Hg(H2O)]2+2[NO3]- (3) by reacting 1b with AgNO3.

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