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1.
Acta Crystallogr Sect E Struct Rep Online ; 69(Pt 6): o892, 2013 Jun 01.
Article in English | MEDLINE | ID: mdl-23795068

ABSTRACT

In the title compound, C21H23NO3S, both the thia-zole and oxazolidine rings adopt twist conformations. The mean plane of the thia-zole ring makes a dihedral angle of 61.02 (7)° with the oxazolidine ring mean plane, and dihedral angles of 22.72 (6) and 75.07 (6)° with the benzene rings. The benzene rings are almost perpendicular to one another, making a dihedral angle of 89.14 (6)°. There are bifurcated intra-molecular C-H⋯O hydrogen bonds in the mol-ecular structure. In the crystal, mol-ecules are linked via C-H⋯π inter-actions, forming chains propagating along [100].

2.
Acta Crystallogr Sect E Struct Rep Online ; 69(Pt 6): o898, 2013 Jun 01.
Article in English | MEDLINE | ID: mdl-23795074

ABSTRACT

In the title compound, C19H19NO3S, the thia-zole and oxazolidine rings each adopt an envelope conformation, with the S and O atoms as the respective flap atoms. The thia-zole and oxazolidine rings (all atoms) make a dihedral angle of 66.39 (11)° while the phenyl rings subtend a dihedral angle of 22.71 (10)°.

3.
Acta Crystallogr Sect E Struct Rep Online ; 69(Pt 1): o23-4, 2013 Jan 01.
Article in English | MEDLINE | ID: mdl-23476411

ABSTRACT

In the title compound, C27H30N2O4, the pyrrolidine ring adopts a twisted conformation. The indoline ring system is almost perpendicular to the mean plane of the pyrrolidine ring, making a dihedral angle of 81.7 (8)°. In the crystal, mol-ecules are linked into centrosymmetric dimers with graph-set motif R2(2)(16) via pairs of C-H⋯O hydrogen bonds. The terminal ethyl group of the ester group is disordered over two sets of sites, with a site-occupancy ratio of 0.587 (11):0.413 (11).

4.
Acta Crystallogr Sect E Struct Rep Online ; 69(Pt 1): o25, 2013 Jan 01.
Article in English | MEDLINE | ID: mdl-23476412

ABSTRACT

In the title compound, C26H31NO4, the five-membered rings of the central pyrrolizine system adopt N-envelope conformations. The ethyl acetate group adopts an extended conformation. The dihedral angle between the benzene rings is 36.6 (1)°. In the crystal, C-H⋯O hydrogen bonds form a zigzag chain running along the b-axis directions. The crystal structure is futher consolidated by C-H⋯π inter-actions.

5.
Acta Crystallogr Sect E Struct Rep Online ; 69(Pt 3): m144, 2013 Mar 01.
Article in English | MEDLINE | ID: mdl-23476492

ABSTRACT

In the title compound, [Fe(C5H5)(C16H15O3)], the cyclo-penta-dienyl rings are in an eclipsed conformation and the benzene ring makes dihedral angles of 10.84 (9) and 12.35 (9)°, respectively, with the substituted and unsubstituted cyclo-penta-dienyl rings. In the crystal, mol-ecules form inversion dimers through pairs of O-H⋯O hydrogen bonds. Weak C-H⋯O hydrogen bonds are observed between the dimers.

6.
Acta Crystallogr Sect E Struct Rep Online ; 69(Pt 3): o442, 2013 Mar 01.
Article in English | MEDLINE | ID: mdl-23476611

ABSTRACT

The title compound, C19H18O3, crystallizes with three mol-ecules (A, B and C) in the asymmetric unit. The carbonyl O atom shows positional disorder over two sites in mol-ecules A and B; the site-occupancy ratios are 0.76 (3):0.24 (3) and 0.86 (3):0.14 (3), respectively. The ethyl-ene fragments in each mol-ecule have an E conformation, while the C-O-C-C torsion angles indicate near planarity. The dihedral angles formed by the aromatic rings are 20.0 (1), 23.7 (1) and 16.1 (1)° for mol-ecules A, B and C, respectively. Intra-molecular C-H⋯O hydrogen bonds occur in each mol-ecule.

7.
Acta Crystallogr Sect E Struct Rep Online ; 69(Pt 2): o314-5, 2013 Feb 01.
Article in English | MEDLINE | ID: mdl-23424579

ABSTRACT

In the title compound, C(28)H(24)ClNO(3), the dihedral angles between the central benzene ring and the indole ring system and the chlorobenzene ring are 70.81 (5) and 78.62 (5)°, respectively. The mol-ecular structure is stabilized by a weak intra-molecular C-H⋯O inter-action. In the crystal, pairs of C-H⋯O hydrogen bonds link the mol-ecules into inversion dimers with an R(2) (2)(14) motif.

8.
Acta Crystallogr Sect E Struct Rep Online ; 69(Pt 11): o1637, 2013 Oct 12.
Article in English | MEDLINE | ID: mdl-24454082

ABSTRACT

In the title compound, C24H23N5O3, the oxindole ring system is nearly planar, with a dihedral angle between the two fused rings of 3.3 (1)°. In the fused pyrrolo-oxazole ring system, the oxazole and pyrrolidine rings adopt envelope conformations with the spiro C atom and one of the methyl-ene C atoms, respectively, as the flap atoms. In the crystal, mol-ecules are linked into a helical chain along the b axis via C-H⋯O inter-actions generating R 2 (1)(7) and R 2 (2)(8) ring motifs.

9.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 12): o3344, 2012 Dec 01.
Article in English | MEDLINE | ID: mdl-23476181

ABSTRACT

In the title compound, C29H28N2O4, the indoline ring system is essentially planar, with a maximum deviation of 0.027 (2) Å; the carbonyl O atom lies 0.102 (1) Šout of the least-squares plane of the indole ring. The pyrrolidine ring adopts a C-envelope conformation, with a C atom displaced by 0.643 (2) Šfrom the mean plane formed by the remaining ring atoms. The pyrrolidine ring makes a dihedral angle of 86.1 (8)° with the indoline ring system. In the crystal, N-H⋯O hydrogen bonds result in the formation of cyclic centrosymmetric dimers [R2(2)(8)]. C-H⋯π inter-actions also occur, leading to a chain along the b-axis direction. There is a rather weak π-π electron inter-action between the pyrrazole and benzene rings, with a centroid-centroid distance of 3.765 (1) Å.

10.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 12): o3345, 2012 Dec 01.
Article in English | MEDLINE | ID: mdl-23476182

ABSTRACT

In the title compound, C33H29NO4, the acenaphthyl-ene ring system is essentially planar (r.m.s. deviation = 0.0290 Å). The pyrrolidine ring adopts a C-envelope conformation with a C atom displaced by 0.671 (2) Šfrom the mean-plane formed by the remaining ring atoms. The pyrrolidine ring is fused to acenaphthyl-ene ring system making a dihedral angle of 88.0 (7)°. In the crystal, mol-ecules are linked into R(2)2(9) dimers via C-H⋯N and C-H⋯O hydrogen bonds. Two C atoms act as donors to the same O atom acceptor, resulting in the formation of R(2)1(7) ring motifs. These two motifs combine to form hydrogen-bonded sheets running along the a- and b-axis directions.

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