scholarly journals 5-Amino-6-benzoyl-8-nitro-2,3-dihydro-1H-spiro[imidazo[1,2-a]pyridine-7,3′-indolin]-2′-one dimethyl sulfoxide monosolvate

2014 ◽  
Vol 70 (5) ◽  
pp. o604-o605 ◽  
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
S. Sivakumar ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dimethyl Sulfoxide ◽  
Solvent Molecule ◽  
Membered Ring ◽  
The Other ◽  
Boat Conformation ◽  
Compound C ◽  
Benzoyl Group ◽  
Intramolecular Hydrogen

In the title compound C21H17N5O4·C2H6OS, the central six-membered ring derived from 1,4-dihydropyridine adopts a distorted boat conformation with a small puckering amplitude of 0.127 (3) Å. The sums of bond angles around the pyridine N atom [358.7 (2)°] and the other imidazolidine N atom [60 (2)°] indicate that these atoms are insp2hybridization, leading to an essentially planar imidazolidine ring. The last heterocycle, an oxindole moiety, is also nearly planar with an r.m.s. deviation of 0.0185 (1) Å. The amine NH2group forms an intramolecular hydrogen bond with the benzoyl group, giving aS(6) motif. In the crystal, N—H...O hydrogen bonds lead to the formation of chains along thec-axis direction. Within the chains there are further N—H...O and C—H...O hydrogen bonds enclosingR22(14) ring motifs. The chains are linkedviaN—H...O and C—H...O hydrogen bonds involving the dimethyl sulfoxide solvent molecule which acts as both an acceptor and a donor..

scholarly journals (S,E)-3-[(2-Hydroxybenzylidene)amino]-2-(2-hydroxyphenyl)-2,3-dihydroquinazolin-4(1H)-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2374-o2375 ◽  
Author(s):  
Daniel Tinguiano ◽  
Adama Sy ◽  
Ibrahima Elhadj Thiam ◽  
Mohamed Gaye ◽  
Pascal Retailleau
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Intramolecular Hydrogen Bond ◽  
Title Compound ◽  
The Other ◽  
Boat Conformation ◽  
Compound C ◽  
The Mean ◽  
Intramolecular Hydrogen

In the title compound, C21H17N3O3, the dihydroquinazoline ring adopts a screw-boat conformation and its stereogenic C atom has anSconfiguration. The dihedral angle between the mean planes of the two hydroxyphenyl rings is 86.61 (12)°. The amino H atom forms an intramolecular hydrogen bond with a phenol O atom, while the hydrazine N atom acts as an acceptor for the H atom of the other phenol group. In the crystal, O—H...N and O—H...O hydrogen bonds and weak C—H...centroid(π-ring) intermolecular interactions are observed, forming chains along [1-10] and [110].

scholarly journals Crystal structure of 5-amino-5′-chloro-6-(4-chlorobenzoyl)-8-nitro-2,3-dihydro-1H-spiro[imidazo[1,2-a]pyridine-7,3′-indolin]-2′-one including an unknown solvent molecule

2014 ◽  
Vol 70 (9) ◽  
pp. o971-o972
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
S. Sivakumar ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Hydrogen Bonds ◽  
Solvent Molecule ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Compound C ◽  
Benzoyl Group ◽  
Independent Molecules ◽  
Solvent Molecules ◽  
Intramolecular Hydrogen ◽  
Ring Motif

The asymmetric unit of the title compound, C21H15Cl2N5O4, contains two independent molecules (AandB) having similar conformations. The amine (NH2) group forms an intramolecular hydrogen bond with the benzoyl group, giving anS(6) ring motif in both molecules. The central six-membered rings adopt sofa conformations and the imidazole rings are planar (r.m.s deviations = 0.0150 and 0.0166 Å). The pyridine and imidazole rings are inclined to one another by 3.54 (1) and 3.03 (1)° in moleculesAandB, respectively. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along theaaxis which encloseR22(16) ring motifs. The rings are linked by weak N—H...O and C—H...O hydrogen bonds and C—H...π interactions forming sheets lying parallel to (001). A region of disordered electron density, most probably disordered solvent molecules, occupying voids ofca753 Å3for an electron count of 260, was treated using the SQUEEZE routine inPLATON[Spek (2009).Acta Cryst.D65, 148–155]. Their formula mass and unit-cell characteristics were not taken into account during refinement.

scholarly journals Crystal structure of (E)-9-({[4-(diethylamino)phenyl]imino}methyl)-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-8-ol

2017 ◽  
Vol 73 (1) ◽  
pp. 38-40 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Musheer Ahmad ◽  
Anatoly A. Kapshuk ◽  
Irina A. Golenya
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Condensation Reaction ◽  
The Other ◽  
Boat Conformation ◽  
Aromatic Rings ◽  
Compound C ◽  
Intramolecular Hydrogen ◽  
Ring Motif

The title compound, C23H29N3O, was synthesized from the condensation reaction of 8-hydroxyjulolidine-9-carbaldehyde andN,N-diethyl-p-phenylenediamine. The hydroxy group forms a intramolecular hydrogen bond to the imine N atom and generates anS(6) ring motif. The conformation about the C=N bond isE, and the aromatic ring of the julolidine moiety is inclined to the benzene ring by 3.74 (14)°. One of the fused non-aromatic rings of the julolidine moiety adopts an envelope conformation and the other has a screw-boat conformation. In the crystal, molecules are linked by C—H...π interactions involving the aromatic julolidine ring, forming slabs parallel to thebcplane. The tricyclic fragment of the julolidine ring and the azomethine C=N bond are disordered over two sets of sites with a refined occupancy ratio of 0.773 (3):0.227 (3).

scholarly journals 25,27-(3,6,9-Trioxaundecane-1,11-dioxy)-26,28-{3-[4-(tricyanoethylene)phenyl]-3-azapentane-1,5-dioxy}calix[4]arene dichloromethane monosolvate

IUCrData ◽  
2019 ◽  
Vol 4 (1) ◽  
Author(s):  
Jae Myoung Lee ◽  
Sung Baek Kim ◽  
Wonbo Sim ◽  
Jai Young Lee
Keyword(s):  
Hydrogen Bond ◽  
Nitrogen Atom ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Solvent Molecule ◽  
The Other ◽  
Compound C ◽  
Benzene Rings ◽  
Oxygen Atoms

The title compound, C51H48N2O7, was synthesized by the reaction of 25,27-(3,6,9-trioxaundecane-1,11-dioxy)-26,28-(3-phenyl)-3-azapentane-1,5-dioxy)calix[4]arene with tetracyanoethylene in dry DMF. The compound has a 1,3-alternate conformation with an oxo-crown-5 unit and an aza-crown-3 unit with a nitrogen atom connecting tricyanoethylenephenyl group as a chromophore. Pairs of benzene rings of the calixarene are facing one another. Three of the four oxygen atoms connected to a benzene have endo-conformations while the other is exo. The oxo-crown-5 system has a t–g–g–t conformation. The dichloromethane solvent molecule is linked to the main molecule by a C—H...Cl hydrogen bond. In the crystal, C—H...O, C—H...Cl hydrogen bonds and C—H...π(ring) interactions are observed.

scholarly journals 4-Cyclohexyl-1-(2-methoxybenzoyl)thiosemicarbazide with an unknown solvent

IUCrData ◽  
2018 ◽  
Vol 3 (3) ◽  
Author(s):  
Rahul Chaurasia ◽  
Akhilesh Bharti ◽  
Ray J. Butcher ◽  
Jan L. Wikaira ◽  
Manoj K. Bharty
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Solvent Molecule ◽  
The Other ◽  
Crystal Data ◽  
Chemical Formula ◽  
Compound C ◽  
The Mean ◽  
The Given

In the title compound, C15H21N3O2S, a short intramolecular N—H...O hydrogen bond generates anS(6) ring. The molecule is twisted with a dihedral angle between the benzene ring and the mean plane of the cyclohexyl ring being 58.90 (6)°. In the crystal, inversion dimers are formed with each molecule linked to the other by two N—H(H)...O hydrogen bonds to the same acceptor, generatingR21(6) loops. A region of disordered electron density was corrected for using the SQUEEZE routine inPLATON[Spek (2015).ActaCryst. C71, 9–18]. The given chemical formula and other crystal data do not take into account the unknown solvent molecule(s).

scholarly journals Crystal structure of ethyl 2-(3-amino-5-oxo-2-tosyl-2,5-dihydro-1H-pyrazol-1-yl)acetate

2021 ◽  
Vol 77 (6) ◽  
pp. 615-617
Author(s):  
Nadia H. Metwally ◽  
Galal H. Elgemeie ◽  
Peter G. Jones
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Layer Structure ◽  
Membered Ring ◽  
The Other ◽  
Amino Group ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C ◽  
Intramolecular Hydrogen

In the title compound, C14H17N3O5S, the five-membered ring is essentially planar. The substituents at the nitrogen atoms subtend a C—N—N—S torsion angle of −95.52 (6)°. The amino group forms an intramolecular hydrogen bond to a sulfonyl oxygen atom; two intermolecular hydrogen bonds from the amino group, to the other S=O group and to the oxo substituent, form a layer structure parallel to the ab plane. The structure determination confirms that the title compound is N- rather than O-alkylated.

scholarly journals Crystal structure of 1-amino-2-oxo-2,5,6,7,8,9-hexahydro-1H-cyclohepta[b]pyridine-3-carbonitrile

2016 ◽  
Vol 72 (9) ◽  
pp. 1239-1241 ◽  
Author(s):  
Galal H. Elgemeie ◽  
Peter G. Jones
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Intramolecular Hydrogen Bond ◽  
Title Compound ◽  
Intermolecular Hydrogen Bond ◽  
Membered Ring ◽  
The Other ◽  
Double Layers ◽  
Compound C ◽  
Intramolecular Hydrogen

In the title compound, C11H13N3O, the seven-membered ring adopts a conformation such that the three atoms not involved in the aromatic plane lie on the same side of that plane. One hydrazinic H atom forms an intramolecular hydrogen bond to the O atom; the other forms a classical intermolecular hydrogen bond N—H...O, which combines with a `weak' Har...O interaction to build up double layers of molecules parallel to thebcplane.

scholarly journals Intra- and supramolecular interactions incis,mer-diaquatris(1H-imidazole-κN3)(terephthalato-κO)cobalt(II) monohydrate

2012 ◽  
Vol 68 (4) ◽  
pp. m480-m481
Author(s):  
Aouaouche Benkanoun ◽  
Fadila Balegroune ◽  
Achoura Guehria-Laïdoudi ◽  
Slimane Dahaoui ◽  
Claude Lecomte
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
The Other ◽  
Supramolecular Interactions ◽  
Carboxylate Group ◽  
The Third ◽  
Intramolecular Hydrogen ◽  
The Ideal

In the title compound, [Co(C8H4O4)(C3H4N2)3(H2O)2]·H2O, thecisoidangles are in the range 85.59 (5)–93.56 (5)°, while two equaltransoidangles deviate significantly from the ideal linear angle, the third being almost linear. One carboxylate group is almost coplanar [1.23 (13)°] with the plane of its parent aromatic ring, although it has one O-atom donor involved in one coordination and one hydrogen bond as acceptor. The other carboxylate group does not coordinate and is rotated out of this plane with a torsional twist of 17.27 (20)°. The coordination neutral entity, based on aqua ligands and two cyclic co-ligands seems, at first sight, monomeric. Strongly tight,viaone intramolecular hydrogen bond between aqua and carboxylate O atoms, it brings out a quasi-planar six-membered ring around the CoIIatom, turning the CoN3O3coordination octahedron into a new building block. The rigidity of this feature associated with several hydrogen-bonded arrays yields an extended structure. In the resulting supramolecular packing, a binuclear hydrated CoIIassembly, built up from triple strands driven by different heterosynthons, embodies the synergy of coordination, covalent and hydrogen bonds.

scholarly journals Crystal structure of 5′′-(4-chlorobenzylidene)-4′-(4-chlorophenyl)-1′-methyltrispiro[acenapthylene-1,2′-pyrrolidine-3′,1′′-cyclohexane-3′′,2′′′-[1,3]dioxane]-2(1H),6′′-dione

2015 ◽  
Vol 71 (11) ◽  
pp. o814-o815 ◽  
Author(s):  
Kuppan Chandralekha ◽  
Deivasigamani Gavaskar ◽  
Adukamparai Rajukrishnan Sureshbabu ◽  
Srinivasakannan Lakshmi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Ring System ◽  
Membered Ring ◽  
Boat Conformation ◽  
Pyrrolidine Ring ◽  
Hydrogen Bond Interaction ◽  
Compound C ◽  
Twist Conformation

In the title compound, C36H29Cl2NO4, two spiro links connect the methyl-substituted pyrrolidine ring to the acenaphthylene and cyclohexanone rings. The cyclohexanone ring is further connected to the dioxalane ring by a third spiro junction. The five-membered ring of the acenaphthylen-1-one ring system adopts a flattened envelope conformation, with the ketonic C atom as the flap, whereas the dioxalane and pyrrolidine rings each have a twist conformation. The cyclohexenone ring assumes a boat conformation. An intramolecular C—H...O hydrogen-bond interaction is present. In the crystal, molecules are linked by non-classical C—H...O hydrogen bonds, forming chains extending parallel to theaaxis.

scholarly journals (4Z)-4-(2-Oxopropylidene)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

IUCrData ◽  
2017 ◽  
Vol 2 (7) ◽  
Author(s):  
Jihad Sebhaoui ◽  
Youness El Bakri ◽  
El Mokhtar Essassi ◽  
Joel T. Mague
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Boat Conformation ◽  
Axis Direction ◽  
Compound C

In the title compound, C12H12N2O2, the seven-membered ring adopts a boat conformation. The orientation of the acetyl substituent on this ring is partly determined by an intramolecular N—H...O hydrogen bond. In the crystal, wrinkled sheets stacked along the a-axis direction are formed by pairwise N—H...O and C—H...O hydrogen bonds. The sheets are connected through additional N—H...O and C—H...O hydrogen bonds stacking the molecules along the a-axis direction. The structure was refined as a three-component twin.

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