N-2-(4-Methyl-2-quinolyl)phenyl]acetamide: a P1 structure with Z=4

The title compound, C18H16N2O, crystallizes in the triclinic space group P1, with four independent molecules in the asymmetric unit wherein two molecules have an irregular -ac, -ac, +ap conformation (ap, antiperiplanar; ac, anticlinal), while the other molecules exhibit a different, +ac, +ac, +ap conformation. The planar (r.m.s. deviation = 0.006 A in each of the four molecules) quinoline ring systems of the four molecules are oriented at dihedral angles of 32.8 (2), 33.4 (2), 31.7 (2) and 32.3 (2)degrees with respect to the benzene rings. Intramolecular N-H...N interactions occur in all four independent molecules. The crystal packing is stabilized by intermolecular N-H...O and C-H...O hydrogen bonds, and are further consolidated by C-H...pi and pi-pi stacking interactions centroid-centroid distances = 3.728 (3), 3.722 (3), 3.758 (3) and 3.705 (3) A].

1-(3,5-Diethyl-1H-pyrazol-1-yl)-3-phenylisoquinoline

In the title molecule, C22H21N3, the isoquinoline ring is almost planar maximum deviation = 0.046 (1) A] and makes dihedral angles of 52.01 (4) and 14.61 (4)degrees with the pyrazole and phenyl rings, respectively. The phenyl ring and the pyrazole ring are twisted by 44.20 (6)degrees with respect to each other. The terminal C atoms of both of the ethyl groups attached to the pyrazole ring are disordered over two sites with occupancy ratios of 0.164 (7):0.836 (7) and 0.447 (16):0.553 (16). A weak intramolecular C-H...N contact may influence the molecular conformation. The crystal structure is stabilized by C-H...pi contacts involving the phenyl and pyrazole rings, and by pi-pi stacking interactions involving the pyridine and benzene rings centroid-centroid distance = 3.5972 (10) A].

X-ray and molecular-dynamics studies on Mycobacterium leprae single-stranded DNA-binding protein and comparison with other eubacterial SSB structures

The crystal structures of two forms of Mycobacterium leprae single-stranded DNA-binding protein (SSB) have been determined at 2.05 and 2.8 A resolution. Comparison of these structures with the structures of other eubacterial SSBs indicates considerable variation in their quaternary association, although the DNA-binding domains in all of them exhibit the same OB-fold. This variation has no linear correlation with sequence variation, but could be related to variation in protein stability. Molecular-dynamics simulations have been carried out on tetrameric molecules derived from the two forms and the prototype Escherichia coli SSB and the individual subunits of both proteins. Together, the X-ray studies and molecular-dynamics simulations yield information on the relatively rigid and flexible regions of the molecule and on the effect of oligomerization on flexibility. The simulations provide insight into the changes in subunit structure on oligomerization. They also provide insight into the stability and time evolution of the hydrogen bonds/water bridges that connect the two pairs of monomers in the tetramer.

Valkolakki vai haalarit, vaiko molemmat : Koulutuspolitiikan vaikuttajien näkemykset toisen asteen kehityksestä

In the present research Finnish education policy-makers describe the transformation in upper secondary education in the 1990s. They answered questions related to equality and all-round education. The timeline of the research extends from the early development of the welfare state and equality policy to the 2000s. Its focus is on upper secondary education, which, in this paper, denotes general upper secondary education and vocational upper secondary education. The chronological analysis proceeds from the education committee of 1971 up to the youth education experiment of the 1990s. The voices of the then policy-makers are heard in this research. They were the ones who planned the reforms and/or made the decisions. This being the case, the interviewees include cabinet ministers, permanent secretaries, representatives of organisations and the research community as well as civil servants. The research material can be construed as contextual interpretations of the past, influenced by both the times and places where the narrations were given. The persons interviewed described their experiences and views on education policy. In their narratives they illustrated the transformation that occurred in relation to equality and all-round education. The narrative interviews painted a picture of the upper secondary education transformation and the matriculation examination as having a slowing effect on education policy reforms. It was not until the 1990s when the said examination began to make a difference to students in vocational upper secondary education Those interviewed named the persons who, in their opinion, had the most say in Finnish education policy. This list comprised a small circle of people who more or less agreed on the grand values of education policy, i.e. all-round education and equality. Only a small minority represented a radical view of equality, being true believers in universal upper secondary education implemented in accordance with comprehensive school reform. Finnish education policy was led from the perspective of traditional conception of equality from the 1970s to the 1980s. The transformation finally occurred in the 1990s when equality was understood to mean individual needs and the right to choose. As was the case with matriculation education, the insistence on all-round education also hampered the development of universal upper secondary education. The interviews revealed that any attempts to increase the academic syllabus of vocational education caused organisations as well as other policy-makers to oppose such development well into the 1980s. It was not until the youth education experiment of the 1990s that vocational education finally carved a path to higher education, when the polytechnic schools were made permanent. Three principal groups of key players emerged in the research: ministers of education, civil servants and organisations. The research showed that the ministers and civil servant education policy-makers of the 1990s also included only handful women. The circle of policy-makers was small and represented similar schools of thought. In the 1970s era of government committees, representatives of organisations actively participated in education policy. When the committee establishment was discontinued, this eliminated lobbying venues for the organisations. Nonetheless, the organisations regained their policymaking status in the 1990s. New lobbying organisations included the Finnish Entrepreneurs and the Union of Finnish Upper Secondary School Students. However, in contrast to the 1970s, only rarely would individuals rise from the ranks of organisations to the cadre of policy-makers. The interviewees had a twofold view of neo-liberalism Contrary to other policy-makers, representatives of the research community and organisations concur that neo-liberalism did exist in education policy decision-making in the 1990s.

4-Azidomethyl-7-methyl-2-oxo-2H-chromene-6-sulfonyl azide

In the title compound, C11H8N6O4S, the plane of the coumarin aromatic ring is twisted by 17.2 (2)degrees with respect to the plane of the azide group bound to the methylene substituent, whereas it is twisted by 83.2 (2)degrees to the plane of the azide attached to the sulfonyl group. The crystal structure is stabilized by weak C-H center dot center dot center dot O interactions, leading to the formation of dimers with R-2(2)(12) graph-set motifs. These dimers are further linked by weak S-O center dot center dot center dot pi and pi-pi contacts centroid-centroid distance = 3.765 (2) angstrom], leading to the formation of a layered structure.

Quinoxaline: Z `=1 form

A new Z' = 1 crystal structure of quinoxaline (or 1,4-diazanaphthalene), C8H6N2, with one-fifth the volume of the earlier known Z' = 5 structure was obtained by means of an in situ cryocrystallization technique.

(2R,3R,4aS,6S,7S,8aS)-4a-Fluoro-8a-hydroxyperhydronaphthalene-2,3,6,7-te trayl tetraacetate

The title compound, C18H25FO9, exhibits a similar unit cell and packing to the alpha polymorph of axial 4a,8a-dihydroxyperhydronaphthalene-2,3,6,7-tetrayl tetraacetate. The carbonyl O atoms of two of the four acetate groups in the molecule are disordered over two sites with occupancy ratios of 0.59 (4):0.41 (4) and 0.57 (6):0.43 (6). Crystal packing is effected via intermolecular O-H center dot center dot center dot O hydrogen bonds, which link the tetraacetate molecules into tapes along the c axis.

(2E)-3-(4-Ethoxyphenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-on e monohydrate

The title hydrate, C27H23NO2 center dot H2O, features an almost planar quinoline residue (r.m.s. deviation = 0.015 angstrom) with the benzene dihedral angle = 63.80 (7)degrees] and chalcone C-C-C-O torsion angle = -103.38 (18)degrees] substituents twisted significantly out of its plane. The configuration about the C=C bond 1.340 (2) angstrom] is E. In the crystal, molecules related by the 21 symmetry operation are linked along the b axis via water molecules that form O-H center dot center dot center dot O-c and O-H center dot center dot center dot N-q hydrogen bonds (c = carbonyl and q = quinoline). A C-H center dot center dot center dot O interaction also occurs.

2-(4-Methylsulfanylphenyl)-1H-benzimidazol-3-ium bromide

In the cation of the title compound, C14H13N2S+center dot Br-, the essentially planar benzimidazole system (r.m.s. deviation = 0.0082 angstrom) is substituted with a 4-methylsulfanylphenyl ring. The dihedral angle between the benzimidazole system and the 4-methylsulfanylphenyl ring is 2.133 (2)degrees. The crystal structure is characterized by strong and highly directional intermolecular N-H center dot center dot center dot Br hydrogen bonds involving the bromide ion. Moreover, C-H center dot center dot center dot S interactions result in chains of molecules along the c axis. The supramolecular assembly is further stabilized by pi-pi stacking interactions between the benzimidazole system and 4-methylsulfanylphenyl rings centroid-centroid distance = 3.477 (4) angstrom].

Anomalin. A Dihydropyranocoumarin Derivative from the Plant Lingusticum elatum

The title compound, 9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9,10-diyl 2-methyl-2-butenoate, C24H26O7, contains a highly planar coumarin nucleus and a substituted dihydropyran ring (C), which has a distorted half-chair conformation, with an 8 alpha,9 beta orientation. The conformation of ring C is further supported by the two angelyloxy (2-methyl-2-butenoyloxy) substituents at positions C9 and C10, which are cis oriented and thus cannot both occupy equatorial positions with respect to the plane of ring C. The conformations of the two angelyloxy substituents are different, as indicated by their endocyclic torsion angles. The most striking of these angles are O1'-C2'-C4'=C6' and O1'-C2'-C4'-C5' [-137.7 (5) and 43.7 (5)degrees, respectively, in the chain at C10 and 155.8 (5) and -24.7 (9)degrees, respectively in the chain at C9]. These variations are due to two intramolecular hydrogen bonds, namely, C16-H161 ... O1' [C16 ... O1' 3.056 (7) Angstrom] and C7''-H7Y ... O3'' [C7'' ... O3'' 2.955 (12) Angstrom]. The methyl substituents, C15 and C16, at position C8 are alpha and beta oriented, respectively. The crystal structure is stabilized by a weak C4-H41 ... O3' hydrogen bond [C4 ... O3' 3.297 (6) Angstrom] between the screw-related molecules.

8-(3-methylphenoxy)-16H-dinaphtho[2,1-d;1',2'-g][1,3,2]dioxaphosphocine 8-oxide

In the title compound, C28H21O4P, the eight-membered heterocyclic dioxaphosphocine ring has a distorted boat conformation, with the phosphoryl O atom axial and the phenoxy group equatorial. The P=O distance is 1.451 (1) Angstrom and the average length of the three P-O bonds is 1.573 (1) Angstrom. The phenyl ring is nearly perpendicular to both naphthalene planes, making dihedral angles of 91.30 (3) and 97.65 (5)degrees with them. The angle between the two naphthalene planes is 67.73 (3)degrees. The crystal structure is stabilized by van der Waals interactions.

(+/-)-cis-Dichloro[P-(isopropylamino)-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine](triethylphosphine)platinum(II) dichloromethane solvate

In the racemic title compound, [PtCl2(C23H20NO2P)-(C6H15P)].CH2Cl2, the platinum(II) ion, which has approximately square-planar coordination geometry, is coordinated to two different monophosphorus ligands in a cis arrangement along with two chloride ions. A significant shortening of the P-N bond [1.604(7) Angstrom] relative to that in phosphinoamines and their complexes was observed.

4-Hydroxy-6-(4-methoxyphenyl)-4-phenyl-1,3-diazinane-2-thione

In the title compound, C17H18N2O2S, the 1,3-diazinane-2-thione ring system is not coplanar with the benzene ring and methoxyphenyl ring system, the dihedral angle between the planes being 65.58 (13) and 89.18 (10)degrees, respectively. The crystal structure is characterized by intermolecular O-H...S, N-H...S, N-H...O and C-H...S hydrogen bonding.

Synthetic approaches to homogynolides A and B

A four step, efficient and general methodology for the conversion of a cyclic ketone into the corresponding alpha-spiro-beta-methylene-gamma-butyrolactone, the key structural feature present in tricyclic sesquiterpenes bakkanes, has been developed employing a regiospecific 5-exo dig radical cyclisation reaction as the key step. The methodology has been extended to the total synthesis of bakkanes including homogynolide-B and chiral homogynolide-A.