نتایج جستجو برای: atom bond connectivity index

تعداد نتایج: 571151  

2013
Ivan I. Eliseev Nadezhda A. Bokach Matti Haukka Irina A. Golenya

In the title compound, cis-[PtCl(2)(C(5)H(13)N(3))(C(2)H(6)OS)], the four-coordinate Pt(II) atom is bonded to one N atom of the N,N,N',N'-tetra-methyl-guanidine ligand, one dimethyl sulfoxide S atom and two chloride ligands, forming a cis-square-planar geometry. The bond lengths and angles of the N-Pt-Cl functionality are typical for imine dichloridoplatinum(II) complexes. The H atom of the imi...

2014
Miguel Flores-Ramos Rafael Castillo Alicia Hernández-Campos Marcos Flores-Alamo

In the title compound, C18H13ClN2OS·CH3OH, the dihedral angle between the benzimidazole group and the naphth-yloxy moiety [82.89 (5)°] very near to orthogonality. The H atom in the five-membered ring is disordered with equal occupancies at the two N atoms and the H atom of the methano-lic hy-droxy group is disordered with equal occupancies over two sites at the O atom. The methanol mol-ecule ac...

2013
Bakr F. Abdel-Wahab Hanan A. Mohamed Seik Weng Ng Edward R. T. Tiekink

In the title compound, C16H13ClFN3S, the pyrazole ring adopts an envelope conformation with the methine C atom being the flap atom. The chloro- and fluoro-benzene rings are twisted out of the plane of the pyrazole ring [dihedral angles = 15.12 (11) and 80.55 (10)°, respectively]. The amine group is orientated towards a ring N atom, forming an intra-molecular N-H⋯N hydrogen bond. This H atom als...

2009
Shu-Liang Wang Ke Yang Xiang-Shan Wang Shu-Jiang Tu

The title compound, C(14)H(11)N(3)O(3), adopts an E conformation, with a dihedral angle of 41.8 (1) ° between the mean planes of the two benzene rings. One of the amino H atoms forms an intra-molecular hydrogen bond with the amide N atom, while the other H atom forms an inter-molecular hydrogen bond with the carbonyl O atom of an adjacent mol-ecule, forming dimers about inversion centers. A non...

2012
Seik Weng Ng

In the title salt (common name l-carnitine hydro-chloride), C(7)H(16)NO(3) (+)·Cl(-), the organic cation features a carb-oxy-lic part (-CO(2)H) having unambigous single- and double-bonds [1.336 (2), 1.211 (2) Å]. There is a large N-C-C bond angle [115.9 (1)°] for the C atom connected to the bulky trimethyl-amino substituent. In the crystal, the acid H atom forms a hydrogen bond to the chloride ...

2008
Nooraziah Mohd Lair Hapipah Mohd Ali Seik Weng Ng

The Schiff base mol-ecule of the title compound, C(15)H(14)N(2)O(4)·C(3)H(7)NO, adopts a trans configuration with respect to the C=N double bond; the Schiff base itself is nearly planar (r.m.s. deviation 0.20 Å). The amido N atom is a hydrogen-bond donor to the dimethyl-formamide solvate mol-ecule. One of the hydr-oxy groups forms an intra-molecular hydrogen bond to the N atom of the C=N double...

2012
Hoong-Kun Fun Ching Kheng Quah P. C. Shyma Balakrishna Kalluraya J. H. S. Vidyashree

The title compound, C(14)H(11)ClFN(3)O·H(2)O, exists in an E conformation with respect to the N=C bond. The pyridine ring forms a dihedral angle of 5.00 (9)° with the benzene ring. In the crystal, the ketone O atom accepts one O-H⋯O and one C-H⋯O hydrogen bond, the water O atom accepts one N-H⋯O and two C-H⋯O hydrogen bonds and the pyridine N atom accepts one O-H⋯N hydrogen bond, forming layers...

2010
Ezzatollah Najafi Mostafa M. Amini Seik Weng Ng

The anion of the title salt, (C(10)H(10)NO)[ZnBr(2)(C(10)H(8)NO)]·CH(3)OH, has its metal atom N,O-chelated by the deprotonated 2-methyl-8-hy-droxy-quinoline ligand. The hy-droxy unit of the cation is a hydrogen-bond donor to the alkoxide O atom of the tetra-hedrally coordinated anion, whereas the ammonium cation is a hydrogen-bond donor to the methano-lic O atom. In the crystal, adjacent ion pa...

2010
Mei-Mei Zhang Ke Yang Xiang-Shan Wang

In the title compound, C(15)H(13)BrN(2)O, the pyrimidine ring adopts a skew boat conformation. The amino H atom forms an inter-molecular hydrogen bond with the carbonyl O atom of an adjacent mol-ecule, forming an inversion dimer. Another lone pair of electrons on the same carbonyl O atom acts as acceptor for another N-H⋯O inter-molecular hydrogen bond with a neighbouring mol-ecule, forming chai...

2009
Nor Hadiani Ismail Che Puteh Osman Rohaya Ahmad Khalijah Awang Seik Weng Ng

The title compound, C(16)H(12)O(5), common name: lucidin ω-methyl ether, exists as a planar mol-ecule (r.m.s. deviation = 0.04 Å). Within the mol-ecule, the 1-hydr-oxy group forms a hydrogen bond to the adjacent carbonyl O atom, and the 3-hydr-oxy group forms a hydrogen bond to the adjacent meth-oxy O atom. The meth-oxy O atom is disordered over two positions of equal occupancy.

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