scholarly journals Crystal structure of 4-amino-5-fluoro-2-oxo-2,3-dihydropyrimidin-1-ium 3-hydroxypyridine-2-carboxylate

2014 ◽  
Vol 70 (11) ◽  
pp. 328-330 ◽  
Author(s):  
Ammasai Karthikeyan ◽  
Packianathan Thomas Muthiah ◽  
Franc Perdih
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Amine Group ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Ring Motif

The asymmetric unit of the title salt, C4H5FN3O+·C6H4NO3−, contains one 4-amino-5-fluoro-2-oxo-2,3-dihydropyrimidin-1-ium (5-fluorocytosinium, 5FC) cation and a 3-hydroxypicolinate (3HAP) anion. The 4-amino-5-fluoro-2-oxo-2,3-dihydropyrimidine molecule is protonated at one of the pyrimidine N atoms. The typical intramolecular N—H...F and O—H...OS(5) andS(6) hydrogen-bond ring motifs are observed in the cations and anions. The protonated N atom and 2-amine group of the 5FC cation interact with the 3HPA anion through a pair of nearly parallel N—H...O hydrogen bonds, forming a robustR22(8) ring motif. The ions are further linked by N—H...N, O—H...O, N—H...O and C—H...O hydrogen bonds, generatingR22(7),R33(12) andR65(18) ring motifs, respectively, leading to supramolecular wave-like sheets parallel to (010). The crystal structure is further stabilized by C—H...π interactions, generating a three-dimensional architecture.

scholarly journals Benzene-1,2-diaminium bis(hydrogen phosphonate)

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Md. Zahid ◽  
R. Akilan ◽  
T. Ganesh ◽  
R. Mohan Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Mirror Plane ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Centroid Distance ◽  
Molecular Salt ◽  
Ring Motif

The asymmetric unit of the title molecular salt, C6H10N2 2+·2H2PO3 −, contains half of a benzene-1,2-diaminium cation and a phosphite anion, the complete cation being generated by a crystallographic mirror plane. In the crystal, N—H...O hydrogen bonds generate R 2 2(9) and R 2 2(8) ring motifs and O—H...O hydrogen bonds generate an R 2 2(8) ring motif. Overall, these generate a three-dimensional framework. The crystal structure also features π–π interactions [centroid-to-centroid distance = 3.8642 (7) Å].

scholarly journals Crystal structure of benzimidazolium salicylate

2015 ◽  
Vol 71 (10) ◽  
pp. o794-o795 ◽  
Author(s):  
M. Amudha ◽  
P. Praveen Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Π Interactions ◽  
Molecular Salt ◽  
Ring Motif

In the anion of the title molecular salt, C7H7N2+·C7H5O3−(systematic name: 1H-benzimidazol-3-ium 2-hydroxybenzoate), there is an intramolecular O—H...O hydrogen bond that generates anS(6) ring motif. The CO2group makes a dihedral angle of 5.33 (15)° with its attached ring. In the crystal, the dihedral angle between the benzimidazolium ring and the anion benzene ring is 75.88 (5)°. Two cations bridge two anionsviatwo pairs of N—H...O hydrogen bonds, enclosing anR44(16) ring motif, forming a four-membered centrosymmetric arrangement. These units are linkedviaC—H...O hydrogen bonds, forming chains propagating along theb-axis direction. The chains are linked by C—H...π and π–π interactions [inter-centroid distances = 3.4156 (7) and 3.8196 (8) Å], forming a three-dimensional structure.

scholarly journals The crystal structures of 6′-(4-chlorophenyl)- and 6′-(4-methoxyphenyl)-6a′-nitro-6a′,6b′,7′,9′,10′,12a′-hexahydro-2H,6′H,8′H-spiro[acenaphthylene-1,12′-chromeno[3,4-a]indolizin]-2-one

2019 ◽  
Vol 75 (2) ◽  
pp. 218-222 ◽  
Author(s):  
S. Syed Abuthahir ◽  
M. NizamMohideen ◽  
V. Viswanathan ◽  
D. Velmurugan ◽  
J. Nagasivarao
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Independent Molecules ◽  
Intramolecular Hydrogen ◽  
Compound Ii ◽  
Ring Motif

In the title compounds, C32H25ClN2O4 (I) and C33H28N2O5 (II), the six-membered pyran and piperidine rings adopt envelope and chair conformations, respectively. The five-membered pyrrolidine rings adopt twist conformations. Compound (II) crystallizes with two independent molecules (A and B) in the asymmetric unit. In all three molecules there is a C—H...O intramolecular hydrogen bond present enclosing an S(7) ring motif. In (I), both oxygen atoms of the nitro group are disordered, while in (II) the methoxybenzene group is disordered in molecule B. The geometries were regularized by soft restraints. In the crystal of (I), molecules are linked by C—H...O hydrogen bonds, forming chains along [010]. The chains are linked by C—H...Cl hydrogen bonds, forming layers parallel to (10\overline{1}). Within the layer there are C—H...π interactions present. In the crystal of (II), the A and B molecules are linked via C—H...O hydrogen bonds, forming a square four-membered A–B–A–B unit. These units are linked by a number of C—H...π interactions, forming a three-dimensional supramolecular structure.

scholarly journals Bis(2-hydroxybenzaldehyde oxime)O,O′-butane-1,4-diyldicarbonyl ether

2009 ◽  
Vol 65 (6) ◽  
pp. o1309-o1309
Author(s):  
Bijan Etemadi ◽  
Reza Kia ◽  
Hashem Sharghi ◽  
Mona Hosseini Sarvari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Ring Motif

The molecule of the title compound, C20H20N2O6, lies across a crystallographic inversion centre, the asymmetric unit comprising one half-molecule. An intramolecular O—H...N hydrogen bond generates a six-membered ring, producing anS(6)ring motif. Pairs of intermolecular C—H...O hydrogen bonds link neighbouring molecules into a layer withR22(38) ring motif. The crystal structure is further stabilized by the intermolecular C—H...π interactions.

scholarly journals The crystal structure of a new ferrocenyl P,N ligand: 1-[(2,2-dimethylhydrazin-1-ylidene)methyl]-1′-(diphenylphosphorothioyl)ferrocene

2018 ◽  
Vol 74 (2) ◽  
pp. 133-136
Author(s):  
Toma Nardjes Mouas ◽  
Jean-Claude Daran ◽  
Hocine Merazig ◽  
Eric Manoury
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Independent Molecules

The asymmetric unit of the title compound, [Fe(C8H11N2)(C17H14PS)], contains two independent molecules (A and B) with very similar conformations. Each molecule is built up from a ferrocene unit substituted in the 1 and 1′ positions by a protected sulfur diphenylphosphine and by a dimethylhydrazine, –C(H)=N—N(CH3)2, fragment. The two independent molecules are linked by a C—H...N hydrogen bond. In the crystal, the A–B dimer is linked by a pair of C—H...S hydrogen bonds, forming a centrosymmetric four-molecule arrangement. These units are linked by C—H...π interactions, forming a supramolecular three-dimensional structure.

scholarly journals Crystal structure of 2-benzylamino-4-p-tolyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2015 ◽  
Vol 71 (2) ◽  
pp. 192-194
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
S. Maharani ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Cyclopentane Ring ◽  
Ring Motif

The title compound, C23H21N3, comprises a 2-amino-3-cyanopyridine ring fused with a cyclopentane ring. The later adopts an envelope conformation with the central methylene C atom as the flap. The benzyl and andp-tolyl rings are inclined to one another by 56.18 (15)°, and to the pyridine ring by 81.87 (14) and 47.60 (11)°, respectively. In the crystal, molecules are linked by pairs of N—H...Nnitrilehydrogen bonds, forming inversion dimers with anR22(12) ring motif. The dimers are linked by C—H...π and π–π interactions [centroid–centroid distance = 3.7211 (12) Å], forming a three-dimensional framework.

scholarly journals Crystal structure of 2-methyl-N-{[2-(pyridin-2-yl)ethyl]carbamothioyl}benzamide

2015 ◽  
Vol 71 (9) ◽  
pp. o636-o636
Author(s):  
Nadiah Ameram ◽  
Farook Adam
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Thiourea Derivative ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Ring Motif

In the title compound, C16H17N3OS, a benzoyl thiourea derivative, the planes of the pyridine and benzene rings are inclined to one another by 66.54 (9)°. There is an intramolecular N—H...O hydrogen bond present forming anS(6) ring motif. In the crystal, molecules are linkedviapairs of N—H...N hydrogen bonds, forming inversion dimers, which are reinforced by pairs of C—H...S hydrogen bonds. The dimers are linkedviaC—H...π interactions, forming ribbons along [010].

scholarly journals Crystal structure of 1-benzyl-4-formyl-1H-pyrrole-3-carboxamide

2016 ◽  
Vol 72 (2) ◽  
pp. 133-135
Author(s):  
Qi-Di Zhong ◽  
Sheng-Quan Hu ◽  
Hong Yan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Bond Forming ◽  
Compound C ◽  
The Mean ◽  
Ring Motif

In the title compound, C13H12N2O2(I), the mean planes of the pyrrole and benzyl rings are approximately perpendicular, forming a dihedral angle of 87.07 (4) °. There is an intramolecular N—H...O hydrogen bond forming an S(7) ring motif. In the crystal, molecules are linkedviaa pair of N—H...O hydrogen bonds forming inversion dimers. C—H...O hydrogen bonds link the dimers into chains along direction [10-1]. The chains are further linked by weak C—H...π interactions forming layers parallel to theacplane.

scholarly journals Crystal structure of 4-bromo-2-(1H-imidazo[4,5-b]pyridin-2-yl)phenol

2015 ◽  
Vol 71 (12) ◽  
pp. o991-o992
Author(s):  
Kamel Ouari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Bond Forming ◽  
Pyridine Moiety ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Motif

In the title compound, C12H8BrN3O, the 4-bromophenol ring is coplanar with the planar imidazo[4,5-b]pyridine moiety (r.m.s deviation = 0.015 Å), making a dihedral angle of 1.8 (2)°. There is an intramolecular O—H...N hydrogen bond forming anS(6) ring motif. In the crystal, molecules are linkedviaN—H...N and O—H...Br hydrogen bonds, forming undulating sheets parallel to (10-2). The sheets are linked by π–π interactions [inter-centroid distance = 3.7680 (17) Å], involving inversion-related molecules, forming a three-dimensional structure.

scholarly journals Crystal structure of bis(thiocyanato-κS)bis(thiourea-κS)mercury(II)

2015 ◽  
Vol 71 (2) ◽  
pp. m28-m29
Author(s):  
A. Baskaran ◽  
K. Rajarajan ◽  
M. NizamMohideen ◽  
P. Sagayaraj
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Title Complex ◽  
First Report ◽  
Coordinate Geometry ◽  
Ring Motif

In the title complex, [Hg(NCS)2(CH4N2S)2], the HgIIatom is four-coordinated having an irregular four-coordinate geometry composed of four thione S atoms of two thiocyanate groups and two thiourea groups. The S—Hg—S angles are 172.02 (9)° for thetrans-thiocyanate S atoms and 90.14 (5)° for thecis-thiourea S atoms. The molecular structure is stabilized by an intramolecular N—H...S hydrogen bond, which forms anS(6) ring motif. In the crystal, molecules are linked by a number of N—H...N and N—H...S hydrogen bonds, forming a three-dimensional framework. The first report of the crystal structure of this compound appeared in 1966 [Korczynski (1966).Rocz. Chem.40, 547–569] with an extremely highRfactor of 17.2%, and no mention of how the data were collected.

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