Your browser doesn't support javascript.
loading
Show: 20 | 50 | 100
Results 1 - 9 de 9
Filter
Add more filters










Database
Language
Publication year range
1.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 5): o1088-9, 2011 May 01.
Article in English | MEDLINE | ID: mdl-21754409

ABSTRACT

In the title compound, C(24)H(20)N(2)O(3), the mean plane of the benzimidazole unit makes dihedral angles of 79.88 (11) and 85.44 (12)° with the benzene and 4-meth-oxy-benzene rings, respectively. The benzene and 4-meth-oxy-benzene rings maske a dihedral angle of 16.10 (14)°. A pair of inter-molecular N-H⋯O hydrogen bonds connects adjacent mol-ecules into an inversion dimer, generating an R(2) (2)(26) ring motif. The crystal structure is further stabilized by C-H⋯π inter-actions.

2.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 5): o1262-3, 2011 May 01.
Article in English | MEDLINE | ID: mdl-21754550

ABSTRACT

In the title compound, C(21)H(16)F(2)N(2), the seven-membered 1,4-diazepine ring of the benzodiazepine ring system adopts a distorted-boat conformation. The benzene ring of this system makes dihedral angles of 18.6 (2) and 78.8 (2)° with those of two fluoro-phenyl substituents. In the crystal, inversion dimers linked by two weak C-H⋯F hydrogen bonds generate R(2) (2)(20) ring motifs. There are also weak N-H⋯π and C-H⋯π inter-actions.

3.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 6): o1292-3, 2011 Jun 01.
Article in English | MEDLINE | ID: mdl-21754699

ABSTRACT

In the title mol-ecule, C(16)H(12)F(2)N(2)O, the pyrazole ring adopts a slight envelope conformation with the methyl-ene C atom deviating by 0.114 (3) Šfrom the mean plane of the other four atoms [maximum deviation = 0.021 (3) Å]. The dihedral angles between the four essentially planar atoms of the pyrazole ring and the fluoro-substituted benzene rings are 2.6 (2) and 82.2 (2)°. The dihedral angle between the two benzene rings is 83.7 (2)°. The crystal packing is stabilized by weak inter-molecular C-H⋯O hydrogen bonds.

4.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 2): o328-9, 2011 Jan 12.
Article in English | MEDLINE | ID: mdl-21523013

ABSTRACT

In the title compound, C(23)H(22)N(2)O(2), the central pyrazole ring is nearly planar (r.m.s. deviation = 0.046 Å) and it makes a dihedral angle of 18.5 (2)° with the phenyl ring. The dihedral angles between the phenyl and the two meth-oxy-substituted phenyl rings are 26.2 (2) and 80.6 (2)°. The crystal structure is stabilized by C-H⋯π stacking inter-actions and weak π-π inter-actions [centriod-centroid distance = 3.891 (2) Å].

5.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 2): o537-8, 2011 Jan 29.
Article in English | MEDLINE | ID: mdl-21523185

ABSTRACT

In the title compound, C(22)H(18)N(2)O(5), the four-membered ß-lactam ring is nearly planar, with a maximum deviation of 0.023 (2) Šfor the N atom, and has long C-C distances of 1.525 (5) and 1.571 (5) Å. The mean plane of this group makes dihedral angles of 11.61 (19), 74.5 (2) and 72.3 (2)° with three aromatic rings. An intra-molecular C-H⋯O hydrogen bond occurs. The packing of the mol-ecules in the crystal structure is governed mainly by inter-molecular C-H⋯O hydrogen-bonding and C-H⋯π stacking inter-actions. Furthermore, a π-π inter-action [centroid-centroid distance = 3.6129 (19) Å] helps to stabilize the crystal structure.

6.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 9): o2393-4, 2010 Aug 25.
Article in English | MEDLINE | ID: mdl-21588727

ABSTRACT

In the title compound, C(14)H(21)N(2)Si(+)·Br(-)·H(2)O, the benzimidazole ring system is almost planar [maximum deviation = 0.021 (2) Å]. In the crystal, O-H⋯Br and C-H⋯O hydrogen bonds link the ions via the O atoms of the water mol-ecules. In addition, there are π-π stacking inter-actions between the centroids of the benzene and imidazole rings of the benzimidazole ring system [centroid-centroid distances = 3.521 (3) and 3.575 (2) Å].

7.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 7): o1461-2, 2009 Jun 06.
Article in English | MEDLINE | ID: mdl-21582765

ABSTRACT

The title compound, C(33)H(29)N(3)O(5), was synthesized by the reaction of racemic trans-2-benzyl-3-(2-fur-yl)-1-oxo-1,2,3,4-tetra-hydro-isoquinoline-4-carboxylic acid, l-tryptophan methyl ester and diisopropylcarbodiimide in dry dichloro-methane. The furan ring is disordered over two positions in a 0.859 (14):0.141 (14) ratio. In the 1,2,3,4-tetra-hydro-iso-quin-oline ring system, the heterocyclic ring is not planar, with puckering parameters Q(T) = 0.448 (2) Å, θ = 64.9 (3) and ϕ = 268.3 (3)°. The crystal is extended into a three-dimensional supra-molecular architecture through inter-molecular N-H⋯O hydrogen bonds and C-H⋯π inter-actions. The absolute structure was assigned by reference to the chiral starting material.

8.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 7): o1623-4, 2009 Jun 20.
Article in English | MEDLINE | ID: mdl-21582891

ABSTRACT

The title compound, C(37)H(27)NO(4), crystallizes with two mol-ecules in the asymmetric unit. The ß-lactam ring of each mol-ecule is very nearly planar, with maximum deviations of 0.001 (2) and 0.017 (2) Šin the two mol-ecules. The crystal structure is stabilized by inter-molecular C-H⋯O and C-H⋯N contacts, as well as by weak C-H⋯π inter-actions.

9.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 6): o1377, 2009 May 23.
Article in English | MEDLINE | ID: mdl-21583225

ABSTRACT

The title compound, C(16)H(14)O(6)S, was synthesized by the reaction of 6,7-dimethoxy-homophthalic anhydride with thio-phene-2-carbaldehyde in the presence of 4-(dimethyl-amino)pyridine (DMAP) as a basic catalyst. The thio-phene ring of the title mol-ecule is disordered over two sites with occupancies of 0.877 (3) and 0.123 (3). The disorder corresponds to an approximate 180° rotation of the thio-phene ring with respect to the C-C bond linking it to the rest of the mol-ecule. The six-membered ring of the 3,4-dihydro-isochromanone ring system is not planar [puckering parameters Q(T) = 0.571 (2) Å, θ = 115.2 (2)° and ϕ = 99.1 (2)°]. The benzene ring of the 3,4-dihydro-isochromanone ring system makes dihedral angles of 75.0 (2) and 77.2 (5)° with the disordered thio-phene rings. Inter-molecular O-H⋯O and C-H⋯O hydrogen bonds, as well as C-H⋯π inter-actions, lead to the observed supra-molecular structure.

SELECTION OF CITATIONS
SEARCH DETAIL
...