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1.
Acta Crystallogr Sect E Struct Rep Online ; 70(Pt 8): o838, 2014 Aug 01.
Artigo em Inglês | MEDLINE | ID: mdl-25249891

RESUMO

The title compound, C21H14O3, crystallizes with eight independent mol-ecules (A-H) in the asymmetric unit which are arranged in four groups of two mol-ecules each (AB, CD, EF and GH). In each mol-ecule, the pyran-2-one ring is planar (r.m.s. deviations vary from 0.001 to 0.017 Å), while the pyran ring has a screw-boat conformation. In the crystal, mol-ecules stack in two columns, along the [10-1] direction, composed of mol-ecules C, B, E and G, and D, A, F and H. Mol-ecules A and F are linked via C-H⋯O hydrogen bonds. In addition, there are a number of C-H⋯π contacts present involving all of the mol-ecules. These inter-actions result in the formation of a three-dimensional network.

2.
Acta Crystallogr Sect E Struct Rep Online ; 70(Pt 8): o860, 2014 Aug 01.
Artigo em Inglês | MEDLINE | ID: mdl-25249910

RESUMO

In the title compound, C13H10FNO, the benzene ring planes are inclined at an angle of 50.52 (8)°. A characteristic of aromatic Schiff bases with N-aryl substituents is that the terminal phenyl rings are twisted relative to the plane of the HC=N link between them. In this case, the HC=N unit makes dihedral angles of 10.6 (2) and 40.5 (2)° with the hy-droxy-benzene and fluro-benzene rings, respectively. In the crystal, O-H⋯N and C-H⋯F hydrogen bonds lead to the formation of chains along the c- and b-axis directions, respectively. C-H⋯π contacts link mol-ecules along a and these contacts combine to generate a three-dimensional network with mol-ecules stacked along the b-axis direction.

3.
Acta Crystallogr Sect E Struct Rep Online ; 70(Pt 12): o1268-9, 2014 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-25553038

RESUMO

In the title compound, C24H14Cl2N2O2S, the 2H-chromene ring system is approximately planar, with a maximum deviation of 0.025 (2) Å. The thia-zole ring is almost planar, with an r.m.s. deviation of 0.0022 Å, and makes a dihedral angle of 58.52 (7)° with the chromene ring system. The chromene ring system is inclined at angles of 58.3 (1) and 55.39 (9)° with respect to the two chloro-phenyl rings. The two chloro-phenyl rings show significant deviation from coplanarity, with a dihedral angle between them of 47.69 (8)°. The crystal structure features C-H⋯Cl inter-actions extending in (100) and propagating along the a-axis direction and weak π-π inter-actions [centroid-centroid separation = 3.867 (2) Å].

4.
Acta Crystallogr Sect E Struct Rep Online ; 70(Pt 7): o793-4, 2014 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-25161576

RESUMO

In the title hydrated compound, C15H15N3O3·H2O, the nicotinohydrazide mol-ecule adopts a trans conformation with respect to the C=N double bond. The dihedral angle between the benzene and pyridine rings is 5.10 (14)°. In the crystal, the solvent water mol-ecule acts as an acceptor, forming an N-H⋯O hydrogen bond supported by two C-H⋯O contacts. It also acts as a donor, forming bifurcated O-H⋯(O,O) and O-H⋯N hydrogen bonds that combine with the former contacts to form zigzag chains of mol-ecules along the c-axis direction. An additional O-H⋯O donor contact completes a set of six hydrogen bonds to and from the water mol-ecule and connects it to a third nicotinohydrazide mol-ecule. This latter contact combines with weaker C-H⋯O hydrogen bonds supported by a C-H⋯π contact to stack mol-ecules along b in a three-dimensional network.

5.
Acta Crystallogr Sect E Struct Rep Online ; 70(Pt 7): o809-10, 2014 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-25161590

RESUMO

In the title mol-ecule, C22H18O, the o-tolyl ring is connected through a conjugated double bond. The mol-ecule adopts an E conformation and the C-C=C-C torsion angle is 178.77 (13)°. The overall conformation may be described by the values of dihedral angles between the different planes. The terminal rings are twisted by an angle of 54.75 (8)°, while the biphenyl part is not planar, the dihedral angle between the planes of the rings being 40.65 (8)°. The dihedral angle between the benzene rings is 14.10 (7)°. There are three weak C-H⋯π inter-actions found in the crystal structure. No classic hydrogen bonds are observed.

6.
Artigo em Inglês | MEDLINE | ID: mdl-24426982

RESUMO

In the title compound, [Mg(C3H3N2)4(H2O)2]Cl2, the Mg(II) cation lies on a crystallographic inversion centre and is coordinated by two water mol-ecules and four N-atom donors from monodentate imidazole ligands, giving a slightly distorted octa-hedral stereochemistry. In the crystal, water O-H⋯Cl and imidazole N-H⋯Cl hydrogen bonds give rise to a three-dimensional structure.

7.
Artigo em Inglês | MEDLINE | ID: mdl-24046719

RESUMO

In the title compound, C14H13N3O2·2H2O, the hydrazone mol-ecule adopts an E conformation with respect to the C=N bond. The dihedral angle between the benzene and pyridine rings is 8.55 (10)°. The methyl-idene-hydrazide [-C(=O)-N-N=C-] fragment is essentially planar, with a maximum deviation of 0.0375 (13) Å. The mean planes of the benzene and pyridine rings make dihedral angles of 2.71 (14) and 11.25 (13)°, respectively, with mean plane of the methyl-idene-hydrazide fragment. In the crystal, the benzohydrazide and water mol-ecules are linked by N-H⋯O, O-H⋯O and O-H⋯N hydrogen bonds into a three-dimensional network.

8.
Acta Crystallogr Sect E Struct Rep Online ; 69(Pt 2): o222, 2013 Feb 01.
Artigo em Inglês | MEDLINE | ID: mdl-23424503

RESUMO

In the title compound, C(19)H(13)Br(2)NO, the dihedral angle between the rings of the biphenyl group is 53.59 (14)°. The ring of the benzamide group is inclined to the phenyl rings of the biphenyl group by 23.87 (15) and 75.89 (15)°. There are no significant inter-molecular inter-actions in the crystal structure.

9.
Acta Crystallogr Sect E Struct Rep Online ; 69(Pt 2): o280, 2013 Feb 01.
Artigo em Inglês | MEDLINE | ID: mdl-23424553

RESUMO

In the racemic title compound, C(22)H(21)NO(3), the nitro-gen-containing ring of the pyran-oquinoline moiety adopts a slightly distorted half-chair conformation and the oxygen-containing ring adopts a slightly distorted chair conformation. The benzene rings make a dihedral angle of 84.97 (8)°. In the crystal, weak C-H⋯O inter-actions link the mol-ecules into chains extending along the a-axis direction.

10.
Acta Crystallogr Sect E Struct Rep Online ; 69(Pt 1): o45, 2013 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-23476429

RESUMO

In the title compound, C20H20N2O2, the quinoline ring system makes dihedral angles of 81.05 (4) and 61.16 (5)° with the mean planes of the benzene and morpholine rings, respectively; the mean planes of the latter two rings make a dihedral angle of 83.59 (4)°. In the crystal, pairs of O-H⋯N hydrogen bonds link neighbouring mol-ecules related by a twofold rotation axis, generating R2(2)(10) motifs.

11.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 2): o392, 2012 Feb 01.
Artigo em Inglês | MEDLINE | ID: mdl-22347014

RESUMO

In the title compound, C(23)H(21)N(3)O, the dihedral angles formed by the mean plane of the triazole ring [maximum deviation = 0.007 (1) Å] and the three phenyl rings are 51.13 (8), 52.84 (8) and 47.04 (8)°. In the crystal, mol-ecules are linked by weak C-H⋯N inter-actions, forming infinite chains propagating along the b-axis direction.

12.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 10): o3008, 2012 Oct 01.
Artigo em Inglês | MEDLINE | ID: mdl-23125779

RESUMO

In the title compound, C(10)H(10)ClNO, the benzoisoxazole ring is almost planar (r.m.s. deviation = 0.0121 Å) and the chloro substituent in the side chain is anti-clinal relative to the N-C bond of the isoxazole ring. In the crystal, adjacent mol-ecules are linked via a pair of weak C-H⋯N hydrogen bonds, forming dimers through a cyclic R(2) (2)(8) association.

13.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 3): o772, 2012 Mar 01.
Artigo em Inglês | MEDLINE | ID: mdl-22412646

RESUMO

In the title compound, C(13)H(10)BrNO, the benzene ring planes are inclined at an angle of 48.85 (17)°, resulting in a nonplanar mol-ecule. A characteristic of aromatic Schiff bases with N-aryl substituents is that the terminal phenyl rings are twisted relative to the HC=N plane. In this case, the HC=N unit makes dihedral angles of 11.1 (4) and 38.5 (3)° with the hy-droxy-benzene and bromo-benzene rings, respectively. In the crystal, the molecules are linked by O-H⋯N hydrogen bonds to form infinite (C8) chains along the b axis.

14.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 3): o897, 2012 Mar 01.
Artigo em Inglês | MEDLINE | ID: mdl-22412746

RESUMO

In the title compound, C(14)H(13)NO, the two rings show significant deviation from coplanarity, with a dihedral angle between the two planes of 49.40 (5)°. The hy-droxy group is involved in an inter-molecular O-H⋯N hydrogen bond, forming an extended one-dimensional zigzag chain along (001).

15.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 2): o319, 2012 Feb 01.
Artigo em Inglês | MEDLINE | ID: mdl-22346953

RESUMO

The title compound, C(12)H(7)Br(2)NO(2), a biphenyl derivative, displays a twisted conformation with the two benzene rings making a dihedral angle of 55.34 (14)°. The dihedral angle between the nitro group and its parent benzene ring is 26.8 (2)°. The crystal structure is stabilized by inter-molecular C-H⋯Br and C-H⋯O inter-actions, which lead to the formation of chains propagating along the c-axis direction.

16.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 10): o3040, 2012 Oct 01.
Artigo em Inglês | MEDLINE | ID: mdl-23125805

RESUMO

In the title compound, C(25)H(17)NO(4), the indolizine fused naphthaquinone unit is approximately planar [r.m.s deviation = 0.0678 Å] and makes a dihedral angle of 57.82 (5)° with the benzene ring of the meth-oxy-benzene group. The naphtho-quinone O atoms deviate, in the same sense, from the mean plane of the fused six-membered rings by 0.2001 (14) and 0.0516 (14) Å. In the crystal there is π-π stacking of inversion-related pairs of mol-ecules [inter-planar spacing = 3.514 (2) Å].

17.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 5): o1339, 2012 May 01.
Artigo em Inglês | MEDLINE | ID: mdl-22590237

RESUMO

In he title compound, C(16)H(13)Br(4)N, the carbazole skeleton is nearly planar [maximum deviation = 0.026 (4) Å] and makes a dihedral angle of 73.8 (4)° with the butyl chain. The butyl chain adopts a trans conformation. In the crystal, mol-ecules are linked by π-π stacking inter-actions [centroid-centroid distance = 3.559 (2) Å].

18.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 8): o2542, 2012 Aug 01.
Artigo em Inglês | MEDLINE | ID: mdl-22904974

RESUMO

The complete mol-ecule of the title compound, C(10)H(4)N(2)S(2), is generated by an inversion center situated at the mid-point of the bridging C-C bond. The bithio-phene ring system is planar [maximum deviation = 0.003 (2) Å] and the central C-C bond length is 1.450 (2) Å. There are no significant inter-molecular inter-actions in the crystal structure, which is stabilized by van der Waals inter-actions.

19.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 2): o444, 2011 Jan 22.
Artigo em Inglês | MEDLINE | ID: mdl-21523108

RESUMO

In the title compound C(14)H(17)N(3)O(2), the dihedral angle between the rings is 16.68 (13)°. Although the compound crystallizes in the keto form, the possibility of keto-enamine-enol-imine tautomerism is explained by a strong intra-molecular N-H⋯O hydrogen bond.

20.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 11): o2999, 2011 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-22220017

RESUMO

The title compound, C(15)H(12)ClNO, is a functionalized 1,2-benzoxazole with a chloro-(phen-yl)methyl substituent. The mol-ecule is V-shaped, the dihedral angle between the mean plane of the 1,2-benzoxazole system [maximum deviation = 0.023 (3) Šfor the N atom] and the phenyl ring being 70.33 (14)°. There are no hydrogen-bonding inter-actions in the crystal structure, which is stabilized by van der Waals inter-actions only.

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