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author:("asuki, G.")
1.  Di­aqua­tetra­kis­(1H-imidazole-κN 3)magnesium dichloride 
In the title compound, [Mg(C3H3N2)4(H2O)2]Cl2, the MgII cation lies on a crystallographic inversion centre and is coordinated by two water mol­ecules and four N-atom donors from monodentate imidazole ligands, giving a slightly distorted octa­hedral stereochemistry. In the crystal, water O—H⋯Cl and imidazole N—H⋯Cl hydrogen bonds give rise to a three-dimensional structure.
doi:10.1107/S1600536813021478
PMCID: PMC3884374  PMID: 24426982
2.  (E)-N′-(4-Meth­oxy­benzyl­idene)pyridine-3-carbohydrazide dihydrate 
In the title compound, C14H13N3O2·2H2O, the hydrazone mol­ecule 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 methyl­idene–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 methyl­idene-hydrazide fragment. In the crystal, the benzohydrazide and water mol­ecules are linked by N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonds into a three-dimensional network.
doi:10.1107/S1600536813017406
PMCID: PMC3770434  PMID: 24046719
3.  rac-4a,10b-cis,10b,5c-trans-5-(7-Methyl-2-oxo-2H-chromen-4-yl)-3,4,4a,5,6,10b-hexa­hydro-2H-pyrano[3,2-c]quinoline 
In the racemic title compound, C22H21NO3, the nitro­gen-containing ring of the pyran­oquinoline 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 inter­actions link the mol­ecules into chains extending along the a-axis direction.
doi:10.1107/S1600536813001876
PMCID: PMC3569807  PMID: 23424553
4.  N-(4,4′-Dibromo-[1,1′-biphen­yl]-2-yl)benzamide 
In the title compound, C19H13Br2NO, 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 inter­molecular inter­actions in the crystal structure.
doi:10.1107/S1600536813000597
PMCID: PMC3569757  PMID: 23424503
5.  7-[(Morpholin-4-yl)(phen­yl)meth­yl]quinolin-8-ol 
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 mol­ecules related by a twofold rotation axis, generating R 2 2(10) motifs.
doi:10.1107/S1600536812049343
PMCID: PMC3588227  PMID: 23476429
6.  12-(4-Meth­oxy­benzo­yl)-2-methyl­benzo[f]pyrido[1,2-a]indole-6,11-dione 
In the title compound, C25H17NO4, 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 meth­oxy­benzene group. The naphtho­quinone 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 mol­ecules [inter­planar spacing = 3.514 (2) Å].
doi:10.1107/S1600536812040408
PMCID: PMC3470392  PMID: 23125805
7.  3-Chloro­methyl-6,7-dimethyl-1,2-benz­oxazole 
In the title compound, C10H10ClNO, the benzoisoxazole ring is almost planar (r.m.s. deviation = 0.0121 Å) and the chloro substituent in the side chain is anti­clinal relative to the N—C bond of the isoxazole ring. In the crystal, adjacent mol­ecules are linked via a pair of weak C—H⋯N hydrogen bonds, forming dimers through a cyclic R 2 2(8) association.
doi:10.1107/S1600536812039700
PMCID: PMC3470366  PMID: 23125779
8.  2,2′-Bithio­phene-3,3′-dicarbonitrile 
The complete mol­ecule of the title compound, C10H4N2S2, is generated by an inversion center situated at the mid-point of the bridging C—C bond. The bithio­phene 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 inter­molecular inter­actions in the crystal structure, which is stabilized by van der Waals inter­actions.
doi:10.1107/S1600536812032503
PMCID: PMC3414987  PMID: 22904974
9.  2,3,6,7-Tetra­bromo-9-butyl-9H-carbazole 
In he title compound, C16H13Br4N, 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, mol­ecules are linked by π–π stacking inter­actions [centroid–centroid distance = 3.559 (2) Å].
doi:10.1107/S1600536812013761
PMCID: PMC3344475  PMID: 22590237
10.  4-[(E)-(4-Methyl­phen­yl)imino­meth­yl]phenol 
In the title compound, C14H13NO, the two rings show significant deviation from coplanarity, with a dihedral angle between the two planes of 49.40 (5)°. The hy­droxy group is involved in an inter­molecular O—H⋯N hydrogen bond, forming an extended one-dimensional zigzag chain along (001).
doi:10.1107/S1600536812007635
PMCID: PMC3297943  PMID: 22412746
11.  4-Bromo-N-(4-hy­droxy­benzyl­idene)­aniline 
In the title compound, C13H10BrNO, the benzene ring planes are inclined at an angle of 48.85 (17)°, resulting in a nonplanar mol­ecule. 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 hy­droxy­benzene and bromo­benzene rings, respectively. In the crystal, the molecules are linked by O—H⋯N hydrogen bonds to form infinite (C8) chains along the b axis.
doi:10.1107/S1600536812006101
PMCID: PMC3297843  PMID: 22412646
12.  4-(4-Meth­oxy­pheneth­yl)-3,5-diphenyl-4H-1,2,4-triazole 
In the title compound, C23H21N3O, 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, mol­ecules are linked by weak C—H⋯N inter­actions, forming infinite chains propagating along the b-axis direction.
doi:10.1107/S1600536812000359
PMCID: PMC3275069  PMID: 22347014
13.  4,4′-Dibromo-2-nitro­biphen­yl 
The title compound, C12H7Br2NO2, 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 inter­molecular C—H⋯Br and C—H⋯O inter­actions, which lead to the formation of chains propagating along the c-axis direction.
doi:10.1107/S1600536812000347
PMCID: PMC3275008  PMID: 22346953
14.  3-[Chloro­(phen­yl)meth­yl]-6-methyl-1,2-benzoxazole 
The title compound, C15H12ClNO, is a functionalized 1,2-benzoxazole with a chloro­(phen­yl)methyl substituent. The mol­ecule is V-shaped, the dihedral angle between the mean plane of the 1,2-benzoxazole system [maximum deviation = 0.023 (3) Å for the N atom] and the phenyl ring being 70.33 (14)°. There are no hydrogen-bonding inter­actions in the crystal structure, which is stabilized by van der Waals inter­actions only.
doi:10.1107/S1600536811042462
PMCID: PMC3247399  PMID: 22220017
15.  (Z)-4-{1-[(2-Hy­droxy­ethyl)­amino]­ethyl­idene}-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one 
In the title compound C14H17N3O2, 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 intra­molecular N—H⋯O hydrogen bond.
doi:10.1107/S1600536810054127
PMCID: PMC3051635  PMID: 21523108

Results 1-15 (15)