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1.  2-Methyl-3-(4-methyl­phen­yl)-5,6-diphenyl-2,3-dihydro­pyrazine 
In the title mol­ecule, C24H22N2, four atoms (N—C—C—N) of the heterocyclic ring, with their attached H atoms, and all atoms of the methyl group, are disordered over two positions; the site-occupancy factor of the major component is 0.713 (6). The major disorder component of the heterocyclic ring adopts a half-chair conformation, with all substituents equatorial. The benzene ring adjacent to the methyl group forms dihedral angles of 79.68 (11) and 80.92 (11)° with the phenyl rings; the dihedral angle between adjacent phenyl rings is 59.10 (11)°. The crystal structure features three C—H⋯π inter­actions.
doi:10.1107/S1600536812041438
PMCID: PMC3515189  PMID: 23284416
2.  2-Ethyl-3,5,6-triphenyl­pyrazine 
In the title mol­ecule, C24H20N2, the pyrazine ring is significantly distorted from planarity, presumably due to steric crowding, and its conformation is well described as a flattened twist-boat. The benzene ring adjacent to the ethyl group forms dihedral angles of 53.79 (13) and 85.47 (12)° with the other benzene rings; the dihedral angle between adjacent benzene rings is 57.90 (12)°. The ethyl group is disordered over two positions; the site-occupancy factor of the major component is 0.546 (4). No hydrogen bonds are found in the crystal structure.
doi:10.1107/S1600536812039827
PMCID: PMC3470362  PMID: 23125775
3.  1-[4-(4-Isopropyl­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidin-5-yl]ethanone 
In the title mol­ecule, C16H20N2OS, the heterocyclic ring adopts a slightly distorted flattened boat conformation, and the plane through the four coplanar atoms makes a dihedral angle of 86.98 (6)° with the benzene ring. The thione, acetyl and methyl groups lie on the opposite side of the heterocyclic mean plane to the isopropylphenyl group which has an axial orientation. A weak intra­molecular C—H⋯O hydrogen bond is observed. In the crystal, molecules are linked via N—H⋯O, N—H⋯S and C—H⋯S hydrogen bonds.
doi:10.1107/S1600536812034046
PMCID: PMC3435669  PMID: 22969540
4.  1-[4-(4-Fluoro­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidin-5-yl]ethanone 
In the title mol­ecule, C13H13FN2OS, the heterocyclic ring adopts a slightly distorted flattened boat conformation, and the plane through the four coplanar atoms makes a dihedral angle of 87.45 (14)° with the benzene ring. The thione, acetyl and methyl groups lie on the opposite side of the heterocyclic mean plane to the fluorophenyl group, which has an axial orientation. N—H⋯O, N—H⋯S, C—H⋯F and C—H⋯O inter­molecular hydrogen bonds and a weak C—H⋯π inter­action involving the benzene ring are found in the crystal structure.
doi:10.1107/S1600536812033727
PMCID: PMC3435653  PMID: 22969526
5.  2-(2-Chloro­phen­yl)-3-methyl-5,6-diphenyl-2,3-dihydro­pyrazine 
In the title mol­ecule, C23H19ClN2, the heterocyclic ring adopts a screw-boat conformation, with all substituents equatorial. The benzene ring at position 2 makes dihedral angles of 77.88 (12) and 76.31 (12)° with the phenyl rings at positions 5 and 6, respectively. The dihedral angle between the phenyl rings at positions 5 and 6 is 70.05 (10)°. The Cl atom is disordered over two positions with occupancy factors of 0.946 (5) and 0.054 (5). In the crystal, C—H⋯π inter­actions are found.
doi:10.1107/S1600536811036336
PMCID: PMC3201404  PMID: 22065837
6.  1-(6-Methyl-4-phenyl-2-sulfanyl­idene-1,2,3,4-tetrahydro­pyrimidin-5-yl)ethanone 
In the title compound, C13H14N2OS, the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 86.90 (13)° with the phenyl ring, which adopts an axial orientation. The thionyl, acetyl and methyl groups all have equatorial orientations. Inter­molecular N—H⋯O, N—H⋯S and C—H⋯O hydrogen bonds are found in the crystal structure.
doi:10.1107/S1600536810031296
PMCID: PMC3007977  PMID: 21588635
7.  Ethyl 4-(4-bromo­phen­yl)-6-r-phenyl-2-oxocyclo­hex-3-ene-1-t-carboxyl­ate 
In the title compound, C21H19BrO3, the cyclo­hexene ring adopts an envelope conformation, with all substituents equatorial. The plane through its five coplanar atoms makes dihedral angles of 28.88 (10) and 71.94 (10)° with the bromo­benzene and phenyl rings, respectively. The dihedral angle between the latter two rings is 51.49 (15)°. Inter­molecular C—H⋯O hydrogen bonds are found in the crystal structure; a C—H⋯π inter­action is also present.
doi:10.1107/S1600536810025353
PMCID: PMC3007547  PMID: 21588230
8.  5-Acetyl-4-(2-chloro­phen­yl)-6-methyl-3,4-dihydro­pyrimidine-2(1H)-thione 
In the title mol­ecule, C13H13ClN2OS, the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 85.6 (1)° with the benzene ring, which adopts an axial orientation. The thionyl, acetyl and methyl groups all have equatorial orientations. Inter­molecular N—H⋯O, N—H⋯S and C—H⋯S hydrogen bonds are found in the crystal structure. A weak C—H⋯π inter­action involving the benzene ring also occurs.
doi:10.1107/S1600536809047187
PMCID: PMC2972027  PMID: 21578798
9.  5-Acetyl-4-(4-methoxy­phen­yl)-6-methyl-3,4-dihydro­pyrimidine-2(1H)-thione 
In the title mol­ecule, C14H16N2O2S, the heterocyclic ring adopts an envelope conformation with the plane through the five coplanar atoms making a dihedral angle of 88.99 (4)° with the benzene ring, which adopts an axial orientation. The thionyl, acetyl and methyl groups all have equatorial orientations. Inter­molecular N—H⋯S, N—H⋯O, C—H⋯O and C—H⋯S hydrogen bonds are found in the crystal structure.
doi:10.1107/S160053680904639X
PMCID: PMC2972144  PMID: 21578771
10.  5-Acetyl-4-(4-chloro­phen­yl)-6-methyl-3,4-dihydro­pyrimidine-2(1H)-thione 
In the title mol­ecule, C13H13ClN2OS, the heterocyclic ring adopts a flattened boat conformation, and the plane through the four coplanar atoms makes a dihedral angle of 87.92 (10)° with the benzene ring. The thione, acetyl and methyl groups have equatorial orientations with respect to the attached heterocyclic ring. The chloro­phenyl group has an axial orientation. Inter­molecular N—H⋯O, N—H⋯S and C—H⋯O hydrogen bonds are found in the crystal structure.
doi:10.1107/S1600536809005029
PMCID: PMC2968427  PMID: 21582221
11.  2-Methyl-3,5,6-triphenyl-2,3-dihydro­pyrazine 
In the title mol­ecule, C23H20N2, the heterocyclic ring adopts a screw-boat conformation, with all substituents equatorial. The phenyl ring at position 3 makes dihedral angles of 78.12 (15) and 72.67 (15)°, respectively, with the phenyl rings at positions 5 and 6; the dihedral angle between the phenyl rings at positions 5 and 6 is 67.32 (14)°. A C—H⋯π inter­action is present in the crystal structure.
doi:10.1107/S1600536809005042
PMCID: PMC2968533  PMID: 21582205
12.  Ethyl 6-r-(2-chlorophenyl)-2-oxo-4-phenyl­cyclohex-3-ene-1-t-carboxylate 
In the title mol­ecule, C21H19ClO3, the cyclo­hexene ring adopts an envelope conformation, with all substituents equatorial. The plane through its five coplanar atoms makes dihedral angles of 12.75 (14) and 74.16 (8)° with the phenyl and benzene rings, respectively. The dihedral angle between the latter two rings is 81.73 (12)°. Inter­molecular C—H⋯O hydrogen bonds and intra­molecular C—H⋯Cl contacts are found in the crystal structure; a weak C—H⋯π inter­action is also present.
doi:10.1107/S1600536808043055
PMCID: PMC2968099  PMID: 21581646
13.  2,3,5-Triphenyl­pyrazine 
In the title mol­ecule, C22H16N2, the pyrazine ring deviates very slightly from planarity [maximum deviation 0.044 (3) Å], tending towards a twist-boat conformation. The phenyl ring at position 3 makes dihedral angles of 64.0 (2) and 45.8 (2)°, respectively, with the phenyl rings at positions 2 and 5. The dihedral angle between the phenyl rings at positions 2 and 5 is 49.7 (2)°. A C—H⋯π inter­action is found in the crystal structure, but no classical hydrogen bonds form.
doi:10.1107/S1600536808041627
PMCID: PMC2968030  PMID: 21581569
14.  5-Acetyl-4-(4-methoxy­phen­yl)-6-methyl-3,4-dihydro­pyrimidin-2(1H)-one 
In the title mol­ecule, C14H16N2O3, the heterocyclic ring adopts a flattened boat conformation, and the plane through its four coplanar atoms makes a dihedral angle of 89.65 (7)° with the benzene ring. The non-H atoms of the carbonyl, acetyl and methyl groups are nearly coplanar with the attached heterocyclic ring. Inter­molecular N—H⋯O and C—H⋯O hydrogen bonds are present in the crystal structure.
doi:10.1107/S1600536808040270
PMCID: PMC2967942  PMID: 21581666
15.  5-Acetyl-4-(2-chloro­phen­yl)-6-methyl-3,4-dihydro­pyrimidin-2(1H)-one 
In the title mol­ecule, C13H13ClN2O2, the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 89.16 (5)° with the benzene ring, which adopts an axial orientation. The carbonyl, acetyl and methyl groups each have an equatorial orientation. In the crystal structure, inter­molecular N—H⋯O hydrogen bonds lead to a tape motif. The H atoms of the methyl group at position 6 are disordered over two positions of opposite orientation.
doi:10.1107/S1600536808039366
PMCID: PMC2960013  PMID: 21581440
16.  {5-Methyl-1-[8-(trifluoro­meth­yl)quinolin-4-yl]-1H-1,2,3-triazol-4-yl}(morpholino)methanone 
In the title mol­ecule, C18H16F3N5O2, the dihedral angle between the pyridine ring and the fused benzene ring is 4.50 (10)°. The triazole ring makes dihedral angles of 54.48 (12) and 57.91 (11)° with the pyridine and benzene rings, respectively. The morpholine ring atoms are disordered over two positions; the site-occupancy factors are ca 0.53 and 0.47. Inter­molecular C—H⋯F hydrogen bonding is found in the crystal structure. Furthermore, C—H⋯O and C—H⋯N intra­molecular contacts are also present.
doi:10.1107/S1600536808037562
PMCID: PMC2959961  PMID: 21581347
17.  1-[3-(2,4-Dichloro-5-fluoro­phen­yl)-5-(3-methyl-2-thien­yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone 
In the title mol­ecule, C16H13Cl2FN2OS, the dihedral angle between the thio­phene and benzene rings is 80.34 (12)°. The pyrazoline ring is in an envelope conformation, and the plane through the four coplanar atoms makes dihedral angles of 85.13 (9) and 6.89 (10)° with the thio­phene and benzene rings, respectively. The C and O atoms of the acetyl group are nearly coplanar with the attached pyrazoline ring. In the crystal structure, inversion dimers arise from pairs of inter­molecular C—H⋯O hydrogen bonds. A short inter­molecular Cl⋯S contact of 3.4250 (13) Å is also found.
doi:10.1107/S1600536808033837
PMCID: PMC2959565  PMID: 21581020
18.  (E)-3-(4-Fluoro­phen­yl)-1-[4-(methyl­sulfan­yl)phen­yl]prop-2-en-1-one 
In the title mol­ecule, C16H13FOS, the dihedral angle between the two benzene rings is 8.68 (6)°. The H atoms of the central enone group are trans and one H atom is involved in a close intra­molecular C—H⋯O contact. The crystal structure is stabilized by weak C—H⋯π inter­actions.
doi:10.1107/S1600536808032807
PMCID: PMC2959522  PMID: 21580981
19.  Human protein reference database—2006 update 
Nucleic Acids Research  2005;34(Database issue):D411-D414.
Human Protein Reference Database (HPRD) () was developed to serve as a comprehensive collection of protein features, post-translational modifications (PTMs) and protein–protein interactions. Since the original report, this database has increased to >20 000 proteins entries and has become the largest database for literature-derived protein–protein interactions (>30 000) and PTMs (>8000) for human proteins. We have also introduced several new features in HPRD including: (i) protein isoforms, (ii) enhanced search options, (iii) linking of pathway annotations and (iv) integration of a novel browser, GenProt Viewer (), developed by us that allows integration of genomic and proteomic information. With the continued support and active participation by the biomedical community, we expect HPRD to become a unique source of curated information for the human proteome and spur biomedical discoveries based on integration of genomic, transcriptomic and proteomic data.
doi:10.1093/nar/gkj141
PMCID: PMC1347503  PMID: 16381900

Results 1-19 (19)