نتایج جستجو برای: bifurcated intramolecular hydrogen bond

تعداد نتایج: 211824  

2017
Arunpatcha Nimthong-Roldán Paramee Sripa Yupa Wattanakanjana

In the title compound, [AgCl(C7H7N3O2S)(C18H15P)2], the AgI ion is in a distorted tetra-hedral coordination environment formed by P atoms from two tri-phenyl-phosphane ligands, one terminal S atom from the 1-(4-nitro-phen-yl)thio-urea ligand and a chloride ion. In the crystal, bifurcated (N-H)2⋯Cl hydrogen bonds [with graph-set motif R21(6)] connect complex mol-ecules, forming zigzag chains alo...

2009
Olivier Vallat Ana-Maria Buciumas Reinhard Neier Helen Stoeckli-Evans

In the title compound, C(11)H(12)N(4)O(5), the mean plane through the nitro substituent on the benzene ring is inclined to the benzene mean plane by 85.8 (2)°, which avoids steric inter-actions with the ortho substituents. The hydr-oxy group is involved in bifurcated hydrogen bonds. The first is an intra-molecular O-H⋯O hydrogen bond, involving the ester carbonyl O atom, which gives rise to the...

2014
J. Josephine Novina G. Vasuki M. Suresh M. Syed Ali Padusha

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...

Journal: :Acta crystallographica Section B, Structural science, crystal engineering and materials 2013
Magdalena Małecka Swastik Mondal Sander van Smaalen Carsten Paulmann

A combined experimental and theoretical study of one oxaphosphinane derivative was made on the basis of a topological analysis of its electron density distributions. The electron density was determined from a high-resolution X-ray diffraction data set measured with synchrotron radiation at 100 K, whereas theoretical calculations were performed using density functional theory (DFT) methods at th...

Journal: :The journal of physical chemistry. A 2012
Michael T Scerba Andrew F DeBlase Steven Bloom Travis Dudding Mark A Johnson Thomas Lectka

We characterize a highly unusual, charged NH-O hydrogen bond formed within esters of 8-(dimethylamino)naphthalen-1-ol in which an ammonium ion serves as an intramolecular hydrogen bond donor to spatially proximate ester ether oxygen atoms. Infrared spectroscopic analysis of the ester carbonyl frequencies demonstrates significant blue-shifting when ether hydrogen bonding is possible, in stark co...

Journal: :Acta Crystallographica Section A Foundations of Crystallography 1993

2010
Hadi D. Arman Trupta Kaulgud Edward R. T. Tiekink

The constituents of the title 1:1 co-crystal, C(7)H(6)O(2)·C(14)H(12)N(2), are connected into dimeric aggregates by a bifurcated O-H⋯N hydrogen bond; the hydroxyl-H atom is hydrogen bonded to the two N atoms of the 2,9-dimethyl-phenanthroline. The hydrogen-bonded residues are almost orthogonal to each other [dihedral angle = 78.56 (7) °]. In the crystal packing, the aggregates are assembled int...

2012
Nosheen Kanwal Erum Akbar Hussain Onur Şahin Orhan Büyükgüngör

In the title compound, C(15)H(20)N(2)O(6)S, the C-SO(2)-NH-C torsion angle is 64.54 (14)°. In the mol-ecule, there is a bifurcated N-H⋯(O,O) hydrogen bond, forming S(7) rings. In the crystal, inversion dimers are formed via O-H⋯O hydrogen bonds involving the carboxyl group, so forming R(2) (2)(8) rings. These dimers are further linked via pairs of C-H⋯O hydrogen bonds, forming a C(6) chain prop...

2008
Yuting Chen Hua Yang Dacheng Li Daqi Wang

The title compound, C(17)H(18)N(6)O(2)·0.5CH(3)OH, exists in the double keto form and adopts a highly puckered geometry, stabilized by intra-molecular N-H⋯O and N-H⋯N hydrogen bonds. Inter-molecular N-H⋯N hydrogen bonds and π-π stacking inter-actions [centroid-centroid separation = 3.654 (1) Å] assemble the mol-ecules into chains running in the [111] direction. The methanol solvent mol-ecule is...

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