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1.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 2): o329, 2009 Jan 17.
Artigo em Inglês | MEDLINE | ID: mdl-21581933

RESUMO

In the mol-ecule of the title compound, C(17)H(17)N(3)O(3), the triazole ring is oriented at dihedral angles of 88.09 (3) and 83.72 (3)° with respect to the 2-methoxy-benzyl and 2-methoxy-phenyl rings, respectively. The dihedral angle between the 2-methoxy-benzyl and 2-methoxy-phenyl rings is 52.95 (3)°. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers. There is a π-π contact between the 2-methoxy-phenyl rings [centroid-centroid distance = 3.811 (3) Å].

2.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 2): o387, 2009 Jan 28.
Artigo em Inglês | MEDLINE | ID: mdl-21581982

RESUMO

The asymmetric unit of the title compound, C(18)H(19)N(3)O(3), contains two crystallographically independent but similar mol-ecules. The triazole ring is oriented with respect to the benzene rings to form dihedral angles of 57.96 (6) and 7.01 (6)° in one mol-ecule, and 64.37 (5) and 10.73 (5)° in the other. The two independent mol-ecules are linked into a dimer by inter-molecular N-H⋯O hydrogen bonds.

3.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 2): o418, 2009 Jan 31.
Artigo em Inglês | MEDLINE | ID: mdl-21582007

RESUMO

In the mol-ecule of the title compound, C(16)H(13)FO(2), the aromatic rings are oriented at a dihedral angle of 74.46 (4)°. The heterocyclic ring adopts a twisted conformation. In the crystal structure, there is a weak C-H⋯π inter-action.

4.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 2): o429, 2009 Jan 31.
Artigo em Inglês | MEDLINE | ID: mdl-21582015

RESUMO

The title compound, C(18)H(19)N(3)O(3), is a biologically active triazole derivative. The five-membered ring is oriented with respect to the six-membered rings at dihedral angles of 51.59 (4) and 61.37 (4)°. The crystal structure is stabilized by inter-molecular N-H⋯O hydrogen-bond inter-actions between centrosymmetrically related mol-ecules [the dihedral angle between the benzene rings is 47.44 (5)°].

5.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 3): o498, 2009 Feb 11.
Artigo em Inglês | MEDLINE | ID: mdl-21582163

RESUMO

In the mol-ecule of the title compound, C(16)H(14)O(2), the aromatic rings are oriented at a dihedral angle of 78.49 (3)°. The heterocyclic ring adopts a twist conformation. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into chains along the c axis.

6.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 3): o500, 2009 Feb 11.
Artigo em Inglês | MEDLINE | ID: mdl-21582165

RESUMO

In the mol-ecule of the title compound, C(16)H(11)FOS, the benzene ring is oriented at a dihedral angle of 89.68 (3)° with respect to the planar [maximum deviation 0.009 (2) Å] isocoumarin ring system. An intra-molecular C-H⋯S inter-action results in the formation of a planar five-membered ring. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into chains parallel to the c axis. A π-π contact between the isocoumarin rings [centroid-centroid distance = 3.818 (3) Å] may further stabilize the structure.

7.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 3): o572, 2009 Feb 21.
Artigo em Inglês | MEDLINE | ID: mdl-21582227

RESUMO

In the mol-ecule of the title compound, C(15)H(13)NO(2), the aromatic rings are oriented at a dihedral angle of 81.65 (3)°. In the crystal structure, weak inter-molecular C-H⋯N hydrogen bonds link the mol-ecules into chains along the b axis.

8.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 3): o583, 2009 Feb 25.
Artigo em Inglês | MEDLINE | ID: mdl-21582238

RESUMO

In the mol-ecule of the title compound, C(14)H(9)Cl(2)NO, the planar indole ring system [with a maximum deviation of 0.020 (2) Šfor the N atom] is oriented at a dihedral angle of 72.17 (3)° with respect to the phenyl ring. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules. A weak C-H⋯π inter-action may further stabilize the structure.

9.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 10): o1943, 2008 Sep 13.
Artigo em Inglês | MEDLINE | ID: mdl-21201148

RESUMO

In the title compound, C(11)H(14)N(2)O(3), the planar hydrazide group is oriented with respect to the benzene ring at a dihedral angle of 48.00 (3)°. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules.

10.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 11): o2197, 2008 Oct 25.
Artigo em Inglês | MEDLINE | ID: mdl-21581055

RESUMO

In the crystal of the title compound, C(11)H(12)O(4), inversion dimers arise from pairs of intermolecular O-H⋯O hydrogen bonds and C-H⋯O bonds further consolidate the packing. There is also a C-H⋯π contact between the benzene ring and the methyl-ene group.

11.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 12): o2345-6, 2008 Nov 13.
Artigo em Inglês | MEDLINE | ID: mdl-21581320

RESUMO

In the title compound, C(17)H(17)N(3)O(2)S, the five-membered ring forms dihedral angles of 53.02 (3) and 78.57 (3)° with the 3-meth-oxy-substituted and 2-meth-oxy-substituted benzene rings, respectively. In the crystal structure, mol-ecules are linked into centrosymmetric dimers via inter-molecular N-H⋯S hydrogen bonds.

12.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 10): o1970, 2008 Sep 20.
Artigo em Inglês | MEDLINE | ID: mdl-21201170

RESUMO

In the mol-ecule of the title compound, C(8)H(6)Cl(2)O(2), the benzene ring is oriented with respect to the planar ester group at a dihedral angle of 39.22 (3)°.

13.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 10): o2018, 2008 Sep 27.
Artigo em Inglês | MEDLINE | ID: mdl-21201213

RESUMO

The asymmetric unit of the title compound, C(16)H(11)ClO(2), a chemically synthesized isocoumarin, contains three independent mol-ecules. The benzopyran and benzene rings are approximately perpendicular to each other, forming dihedral angles ranging from 83.08 (14) to 87.43 (11)°. In the crystal structure, mol-ecules are linked by inter-molecular C-H⋯O hydrogen-bonding inter-actions, forming chains running parallel to the a axis.

14.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 11): o2173, 2008 Oct 22.
Artigo em Inglês | MEDLINE | ID: mdl-21581033

RESUMO

In the mol-ecule of the title compound, C(8)H(10)N(2)O, the oxime group is oriented at a dihedral angle of 5.58 (3)° with respect to the benzene ring. In the crystal structure, inter-molecular O-H⋯N and N-H⋯O hydrogen bonds link the mol-ecules, forming a three-dimensional network.

15.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 11): o2180, 2008 Oct 25.
Artigo em Inglês | MEDLINE | ID: mdl-21581039

RESUMO

In the mol-ecule of the title compound, C(18)H(19)N(3)O(3), the triazole ring is oriented with respect to the 3-methoxy-phenyl and 2-methoxy-phenyl rings at dihedral angles of 11.79 (3) and 89.22 (3)°, respectively. The dihedral angle between the two benzene rings is 85.95 (3)°. In the crystal structure, inter-molecular O-H⋯N and C-H⋯O hydrogen bonds link the mol-ecules. There is a π-π contact between the triazole and 3-methoxy-phenyl rings [centroid-centroid distance = 3.916 (3) Å]. There is a π-π contact between the triazole and one of the 3-methoxy-phenyl rings [centroid-centroid distance = 3.916 (3) Š]. C-H⋯π contacts are also found between the benzene ring and the methyl groups of their 3-methoxy-substituents.

16.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 11): o2205, 2008 Oct 25.
Artigo em Inglês | MEDLINE | ID: mdl-21581063

RESUMO

The title compound, C(16)H(13)ClO(3), is an important inter-mediate in the conversion of isocoumarin to 3,4-dihydro-isocoumarin. The two aromatic rings are oriented at a dihedral angle of 67.18 (3)°. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers. There is also a C-H⋯π contact between the benzoic acid and 4-chloro-benzyl rings.

17.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 11): o2223, 2008 Oct 31.
Artigo em Inglês | MEDLINE | ID: mdl-21581078

RESUMO

In the title compound, C(15)H(9)ClINO(2), which possesses anticonvulsant activity, the iodo-indoline ring system is essentially planar (maximum deviation 1.245 Å) and is oriented with respect to the 3-chloro-benzyl ring at a dihedral angle of 76.59 (3)°. In the crystal, there is a π-π contact between iodo-indoline ring systems [centroid-centroid distance = 3.8188 (4) Å].

18.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 12): o2267, 2008 Nov 08.
Artigo em Inglês | MEDLINE | ID: mdl-21581248

RESUMO

In the title compound, C(15)H(11)FO(3), the aromatic rings are oriented at a dihedral angle of 69.26 (3)°. In the crystal structure, inversion dimers arise from pairs of inter-molecular O-H⋯O hydrogen bonds, and C-H⋯O hydrogen bonds further consolidate the packing. There are also C-H⋯π contacts between the benzoic acid and 2-fluoro-benzene rings.

19.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 12): o2391, 2008 Nov 20.
Artigo em Inglês | MEDLINE | ID: mdl-21581361

RESUMO

The asymmetric unit of the title compound, C(12)H(14)O(3), contains two independent mol-ecules, in which the benzene rings are oriented at a dihedral angle of 72.08 (3)°. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers. There are also C-H⋯π contacts between aromatic CH groups and the benzene rings.

20.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 12): o2400, 2008 Nov 20.
Artigo em Inglês | MEDLINE | ID: mdl-21581370

RESUMO

In the title compound, C(15)H(13)Cl(2)NO(2), the dihedral angle between the aromatic rings is 63.80 (12)°. The conformation may be stabilized by a weak N-H⋯O hydrogen bond. In the crystal structure, a short C-Cl⋯π interaction occurs, with a Cl⋯π separation of 3.5706 (13) Å.

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