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1.
Acta Crystallogr Sect E Struct Rep Online ; 70(Pt 4): o445, 2014 Apr 01.
Article in English | MEDLINE | ID: mdl-24826148

ABSTRACT

The asymmetric unit of the title compound, C13H11ClN4O2S, contains two mol-ecules (A and B), in which the dihedral angles between the 1H-imidazo[4,5-c]pyridine system and terminal phenyl ring are 80.83 (10) and 62.34 (1)°. In the crystal, A-B dimers are linked by pairs of N-H⋯N hydrogen bonds, which generate R (2) 2(10) loops. The dimers are linked by C-H⋯O and C-H⋯Cl inter-actions, generating a three-dimensional network. Aromatic π-π stacking inter-actions [shortest centroid-centroid distance = 3.5211 (12) Å] are also observed.

2.
Acta Crystallogr Sect E Struct Rep Online ; 70(Pt 2): o155-6, 2014 Feb 01.
Article in English | MEDLINE | ID: mdl-24764877

ABSTRACT

In the title compound, C14H11Cl2N5O, the plane of the 1H-imidazo[4,5-c]pyridine ring system [r.m.s. deviation = 0.087 (19) Å] makes a dihedral angle of 4.87 (10)° with the terminal phenyl ring. An intra-molecular N-H⋯N hydrogen bond stabilizes the mol-ecular conformation. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into inversion dimers. These dimers are connected by π-π inter-actions between imidazole rings [shortest centroid-centroid distance = 3.4443 (14) Å].

3.
Acta Crystallogr Sect E Struct Rep Online ; 69(Pt 6): o859, 2013 Jun 01.
Article in English | MEDLINE | ID: mdl-23795042

ABSTRACT

In the title compound, C13H8BrClOS, the thio-phene and phenyl rings are inclined by 40.69 (11)° to each other. The crystal structure is characterized by C-H⋯π inter-actions, which link the mol-ecules into broad layers parallel to (100). Short Br⋯Cl contacts [3.698 (1) Å] link these layers along [100].

4.
Article in English | MEDLINE | ID: mdl-24427080

ABSTRACT

In the title compound, C16H17NO3S2, the dihedral angles between the O/C/C/S group and the 2H-chromene ring system and the thio-carbamate group are 14.46 (9) and 83.30 (9)°, respectively. The bond-angle sum at the N atom is 360.0°. One of the methyl C atoms lies above the thio-carbamate plane and one lies below it [deviations = 1.264 (3) and -1.147 (3) Å, respectively]. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds generate R 2 (2)(10) loops. Weak aromatic π-π stacking inter-actions [shortest centroid-centroid distance = 3.8138 (11) Å] are also observed.

5.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 1): o194-5, 2012 Jan.
Article in English | MEDLINE | ID: mdl-22259477

ABSTRACT

In the title compound, C(23)H(26)FN(3)O(6)S, the two terminal aromatic rings form a dihedral angle of 49.26 (12)°. The cyclo-hexane ring adopts a chair conformation and the five-membered ring is essentially planar, with a maximum deviation from planarity of 0.0456 (19) Å. The dihedral angles between the five-membered ring and the meth-oxy-benzene and fluoro-benzene rings are 33.56 (11) and 81.94 (12)°, respectively. The crystal structure displays N-H⋯O hydrogen bonds as well as weak inter-molecular C-H⋯O inter-actions.

6.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 9): o2535-6, 2011 Sep 01.
Article in English | MEDLINE | ID: mdl-22059067

ABSTRACT

In the title compound, C(23)H(19)Cl(2)N(5)OS, the triazole ring makes dihedral angles of 24.81 (18), 69.94 (19) and 35.68 (18)° with the dichloro-phenyl, benzene and meth-oxy-phenyl rings, respectively. An intra-molecular N-H⋯N hydrogen bond occurs. In the crystal, inversion dimers linked by pairs of N-H⋯S hydrogen bonds occur. In addition, there are weak C-H⋯π inter-actions involving the dichloro-phenyl and triazole rings.

7.
Anal Sci ; 20(2): 407-8, 2004 Feb.
Article in English | MEDLINE | ID: mdl-15055979

ABSTRACT

The title compound was extracted from a natural product and its structure was characterized by an X-ray diffraction method. It crystallizes in the tetragonal space group P41 with cell parameters a = 15.832(10)A, c = 11.622(10)A, Z = 4; the final residual factor is R1 = 0.0769. The structure has both intra and intermolecular hydrogen bonds.

8.
Anal Sci ; 19(10): 1463-4, 2003 Oct.
Article in English | MEDLINE | ID: mdl-14596419

ABSTRACT

The title compound was extracted from the natural product of plant origin. It crystallizes in tetragonal space group P4(1) or P4(3), with cell parameters a = 15.795(2)A, c = 11.970(5)A and Z = 4. The structure exhibits intermolecular hydrogen bonds of the type C-H...O.


Subject(s)
Chromans/chemistry , Biological Factors/chemistry , Chromans/isolation & purification , Crystallization , Crystallography, X-Ray , Molecular Structure
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