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1.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 4): o1003, 2012 Apr 01.
Artigo em Inglês | MEDLINE | ID: mdl-22589879

RESUMO

In the title mol-ecule, C(12)H(8)F(3)NO(3), the trifluoro-methyl group is rotationally disordered over three orientations in a 0.5:0.3:0.2 ratio. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules related by translation into chains along the c axis. The crystal packing exhibits π-π inter-actions between the pyran rings of neighboring mol-ecules [centroid-centroid distance = 3.462 (4) Å] and short C⋯O contacts of 3.149 (4) Å.

2.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 4): o1046, 2012 Apr 01.
Artigo em Inglês | MEDLINE | ID: mdl-22589916

RESUMO

The asymmetric unit of the title compound, C(12)H(9)NO(2)S(4), contains one half-mol-ecule with the N, two S amd four C atoms lying on a mirror plane. The mol-ecule exhibits a V-shaped conformation, with a dihedral angle of 87.00 (7)° between the benzene and dithiol-opyrrole rings. The methyl group was treated as rotationally disordered between two orientations in a 1:1 ratio. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into chains in [010].

3.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 7): o1713, 2011 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-21837106

RESUMO

In the title compound, C(14)H(15)NO(3), all non-H atoms except for those of the methyl and the disordered ethyl groupare approximately co-planar, the largest deviation from the mean plane being 0.0223 (13) Šat the N atom. In the crystal, the packing of mol-ecules through weak inter-molecular C-H⋯O hydrogen-bonding inter-actions leads to the formation of layers parallel to bc plane. Within these layers, there exist slipped π-π stacking inter-actions between symmetry-related fused rings [centroid-centroid distances = 3.527 (3) and 3.554 (3), slippage = 0.988 and 1.011 Å, respectively]. One ethyl group is disordered over two sets of sites with site-occupation factors of 0.54 and 0.46.

4.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 5): o1092, 2011 May 01.
Artigo em Inglês | MEDLINE | ID: mdl-21754412

RESUMO

The title compound, C(22)H(30)N(4)O(2), has a crystallographic inversion center located at the mid-point of the N-N single bond. Apart from the four ethyl C atoms, the non-H atoms are nearly coplanar with a mean deviation of 0.0596 (2) Å. An intra-molecular O-H⋯N hydrogen bond occurs. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into layers parallel to (100).

5.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 5): o1107, 2011 May 01.
Artigo em Inglês | MEDLINE | ID: mdl-21754425

RESUMO

The asymmetric unit of the title compound, C(14)H(17)N(3)O(3), contains two independent mol-ecules with different conformations of the ethyl groups. In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into ribbons extending along the a axis.

6.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 5): o1044, 2010 Apr 10.
Artigo em Inglês | MEDLINE | ID: mdl-21579105

RESUMO

In the title compound, C(18)H(26)O(3)S(8), the two five-membered rings exhibit envelope conformations. The two S atoms in the 17-membered macrocycle deviate from the plane of the fused five-membered ring by 1.429 (3) and -1.434 (3) Šin opposite directions.

7.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 6): o1335, 2010 May 15.
Artigo em Inglês | MEDLINE | ID: mdl-21579425

RESUMO

The title compound, C(13)H(20)O(3)S(5), is bis-ected by a crystallographic twofold rotation axis, which relates the two halves of the mol-ecule to one another: one S, one C and one O atom lie on the axis. The thione S atom lies in the plane of the five-membered rings with an r.m.s. deviation of 0.0042 (5) Å. Parts of the 17-membered macrocycle were refined using a two-part disorder model [occupancies of 0.553 (14) and 0.447 (14)]. There are no noteworthy inter-molecular inter-actions.

8.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 6): o1379, 2010 May 19.
Artigo em Inglês | MEDLINE | ID: mdl-21579460

RESUMO

In the title compound, C(16)H(16)N(2)O(3)S(6), the two five-membered rings form a dihedral angle of 7.86 (9)°. Weak C-H⋯N hydrogen bonds link the mol-ecules to form a chain along c; the chains are further connected by weak C-H⋯O hydrogen bonds to form a three-dimensional supra-molecular network.

9.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 8): o2079, 2010 Jul 21.
Artigo em Inglês | MEDLINE | ID: mdl-21588379

RESUMO

In the title compound, C(14)H(8)N(4)S(6), the two five-membered rings lie in the same plane with an r.m.s. deviation of 0.0334 (5) Å. The crystal structure features inter-molecular S⋯N inter-actions of 3.295 (4) Å.

10.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 12): o3306, 2010 Nov 27.
Artigo em Inglês | MEDLINE | ID: mdl-21589584

RESUMO

In the title compound, C(8)H(8)S(6), the five-membered rings form a dihedral angle of 25.06 (9)°. In the absence of short inter-molecular contacts, the mol-ecules are packed by van der Waals forces in the crystal.

11.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 12): o3353, 2010 Nov 30.
Artigo em Inglês | MEDLINE | ID: mdl-21589623

RESUMO

In the title compound, C(18)H(23)NOS(6), the dithiol-opyrrole ring is almost planar [r.m.s. deviation = 0.044 (3) Å] and makes a dihedral angle of 25.11 (7)° with the dithiole ring. In the crystal, pairs of neighboring mol-ecules are connected by weak inter-molecular C-H⋯O inter-actions. These dimers are further linked into a chain along [110] by C-H⋯O inter-actions.

12.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 10): o2538, 2009 Sep 26.
Artigo em Inglês | MEDLINE | ID: mdl-21577982

RESUMO

In the title mol-ecule, C(14)H(18)OS(8), one O atom, two S atoms and six C atoms form an 11-membered ring with a chair-like conformation; the planes of the two five-membered rings connected by a carbon-carbon double bond form a dihedral angle of 29.97 (11)°. In the crystal, pairs of weak inter-molecular C-H⋯S hydrogen bonds link two mol-ecules into inversion dimers.

13.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 11): o2783, 2009 Oct 17.
Artigo em Inglês | MEDLINE | ID: mdl-21578376

RESUMO

In the title mol-ecule, C(16)H(22)S(8)O(2), two S atoms, two O atoms and ten C atoms form a 14-membered ring with a boat conformation. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules into dimers which are further connected into a chain along the a axis by C-H⋯S hydrogen bonds.

14.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 12): o3092, 2009 Nov 14.
Artigo em Inglês | MEDLINE | ID: mdl-21578821

RESUMO

The asymmetric unit of the title compound, C(19)H(19)NOS(6), contains two independent mol-ecules with different conformations of the ethyl groups. The dihedral angles between the pyrrole and benzene rings are 14.19 (14) and 16.29 (17)° in the two molecules. In the absence of short inter-molecular contacts, in the crystal, the mol-ecules are packed with their long axes parallel to [10].

15.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 7): o1710, 2009 Jun 27.
Artigo em Inglês | MEDLINE | ID: mdl-21582961

RESUMO

In the title mol-ecule, C(9)H(12)S(5)O, the five-membered ring and attached S atom are essentially coplanar [mean deviation from the mean plane = 0.020 (1) Å]. The two S atoms belonging to the macrocycle deviate from this plane by 1.005 (1) and 1.337 (2) Å. In the crystal, π-π inter-actions link the mol-ecules into centrosymmetric dimers with a short distance of 3.753 (5) Šbetween the centroids of the five-membered rings.

16.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 8): o2042, 2009 Jul 31.
Artigo em Inglês | MEDLINE | ID: mdl-21583706

RESUMO

In the title mol-ecule, C(11)H(16)O(2)S(5), the two S atoms from the macrocycle are situated on opposite sides of the mean plane of the five-membered ring, deviating from it by 1.288 (3) and 1.728 (3) Å. In the crystal, weak inter-molecular C-H⋯S and C-H⋯O hydrogen bonds link the mol-ecules into layers parallel to (100). The crystal studied was a racemic twin.

17.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 5): o1057, 2009 Apr 18.
Artigo em Inglês | MEDLINE | ID: mdl-21583874

RESUMO

In the title mol-ecule, C(16)H(20)O(5)S(6), the two five-membered rings form a dihedral angle of 4.7 (3)°. The crystal packing exhibits weak inter-molecular C-H⋯O hydrogen bonds, which link the mol-ecules into chains propagating in [10], and π-π inter-actions, indicated by the short distances [3.756 (5) Å] between the centroids of five-membered rings from mol-ecules related by translation along the b axis.

18.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 7): o1217, 2008 Jun 07.
Artigo em Inglês | MEDLINE | ID: mdl-21202854

RESUMO

The title mol-ecule, C(6)H(4)N(2)S(4), has a crystallographically imposed centre of symmetry located at the mid-point of the N-N single bond. The mol-ecule is essentially planar: the two five-membered rings form a dihedral angle of 0.17 (6)°. The crystal packing exhibits short inter-molecular S⋯S contacts of 3.549 (2) Å.

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