scholarly journals Supramolecular Arrangement in Styphnic Acid and Naphthalene-1,4-diol (1 : 1) through a Novel Synthetic Rote for Styphnic Acid

2013 ◽  
Vol 2013 ◽  
pp. 1-8
Author(s):  
Moamen S. Refat ◽  
Hossam A. Saad ◽  
Mohamed Y. El-Sayed ◽  
Abdel Majid A. Adam ◽  
Okan Zafer Yeşilel ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Nitro Group ◽  
Intramolecular Hydrogen Bond ◽  
Asymmetric Unit ◽  
Chemical Preparation ◽  
Orthorhombic System ◽  
Cell Parameters ◽  
Intramolecular Hydrogen ◽  
Acid Unit

The chemical preparation and crystal structure of styphnic acid and naphthalene-1,4-diol (1 : 1) (I) have been reported. The compound crystallizes in the orthorhombic system in space group Pnma and cell parametersa=6.6712(2),b=16.8267(7),c=13.6450(5) ÅandV=1531.71(10) Å3, andZ=4. Crystal structure has been determined and refined toR=0.0576. The crystal structure of I, the asymmetric unit, contains C6H2N3O7, C10H7O, and it is a half portion of both styphnic acid and naphthalene-1,4-diol. The O1–H1⋯O2 intramolecular hydrogen bond was found between the O–H and a nitro group in the styphnic acid unit.

1-{[5-Fluoro-2-(trifluoromethyl)phenyl]iminomethyl}-2-naphthol

2007 ◽  
Vol 63 (3) ◽  
pp. o1407-o1408
Author(s):  
Yun-Fa Zheng ◽  
Liang-Gui Wang ◽  
Guo-Bing Yan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Schiff Base ◽  
Intramolecular Hydrogen Bond ◽  
Title Compound ◽  
Stacking Interactions ◽  
Dimensional Chain ◽  
One Dimensional ◽  
Compound C ◽  
Intramolecular Hydrogen

The title compound, C18H11F4NO, a Schiff base, has been structurally characterized. One intramolecular hydrogen bond influences the conformation of the molecule. The crystal structure is extended into a one-dimensional chain along the c axis via π–π stacking interactions.

Regioselective N-Acetylation of 4-(2-Hydroxyphenyl)-2-phenyl-2,3- dihydro-1H-1,5-benzodiazepine Using Protection by an Intramolecular Hydrogen Bond

2009 ◽  
Vol 64 (8) ◽  
pp. 969-972 ◽  
Author(s):  
Carlos A. Escobar ◽  
Jorge Orellana-Vera ◽  
Andrés Vega ◽  
Dieter Sicker ◽  
Joachim Sieler
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Acetic Anhydride ◽  
Ambient Temperature ◽  
Intramolecular Hydrogen Bond ◽  
Structure Analysis ◽  
Crystal Structure Analysis ◽  
Hydroxyl Groups ◽  
Acetyl Group ◽  
Intramolecular Hydrogen

Since the amino and the hydroxyl groups of 4-(2-hydroxyphenyl)-2-phenyl-2,3-dihydro-1H-1,5- benzodiazepine can both act as nucleophiles, the introduction of both an N-acetyl and an O-acetyl group is expected when the compound is allowed to react with an excess of an electrophile such as acetic anhydride. An intramolecular hydrogen bond between OH and N-5 of the benzodiazepine has been used to obtain differentiation between the two possible sites of acetylation. Thus, this feature offers a preparatively utilizable protecting effect for the OH group and allows for a regioselective N-acetylation at ambient temperature. Both mono- and diacetylated compounds were prepared and characterized by crystal structure analysis

scholarly journals Crystal structure of N-(diphenylphosphoryl)-2-methoxybenzamide

2019 ◽  
Vol 75 (7) ◽  
pp. 939-941
Author(s):  
Victor A. Trush ◽  
Nataliia S. Kariaka ◽  
Viktoriya V. Dyakonenko ◽  
Svitlana V. Shishkina ◽  
Vladimir M. Amirkhanov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Metal Ions ◽  
Intermolecular Interactions ◽  
Intramolecular Hydrogen Bond ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Bidentate Chelate ◽  
Intramolecular Hydrogen

In the title compound, C20H18NO3P, the C=O and P=O groups of the carbacylamidophosphate (CAPh) fragments are located in a synclinal position relative to each other and are pre-organized for bidentate chelate coordination of metal ions. The N—H group is involved in the formation of an intramolecular hydrogen bond. In the crystal, molecules do not form strong intermolecular interactions but the molecules are linked via weak C—H...π interactions, forming chains along [001].

Ethyl 1-[5-amino-1-tert-butyl-3-(methylsulfanyl)-1H-pyrazole-4-carbonyl]-5-methyl-3-(methylsulfanyl)-1H-pyrazole-4-carboxylate

2006 ◽  
Vol 62 (5) ◽  
pp. o1679-o1681
Author(s):  
Jun-Fei Li ◽  
Hai-Bin Song ◽  
You-Quan Zhu ◽  
Hua-Zheng Yang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Intramolecular Hydrogen Bond ◽  
Membered Ring ◽  
Intermolecular Hydrogen Bonds ◽  
Tert Butyl ◽  
The Family ◽  
Title Molecule ◽  
Intramolecular Hydrogen

The title molecule, C17H25N5O3S2, belongs to the family of bis-heterocycles. In the crystal structure, there are one intra- and two intermolecular hydrogen bonds. One of the two pyrazole rings and the six-membered ring formed by the intramolecular hydrogen bond are approximately coplanar.

scholarly journals Crystal structure of (E)-2-{[(6-methoxy-1,3-benzothiazol-2-yl)imino]methyl}phenol

2015 ◽  
Vol 71 (4) ◽  
pp. 385-387
Author(s):  
Yousef Hijji ◽  
Belygona Barare ◽  
Gilbert Wairia ◽  
Ray J. Butcher ◽  
Jan Wikaira
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Membered Ring ◽  
Asymmetric Unit ◽  
Orthorhombic Space Group ◽  
Compound C ◽  
Independent Molecules ◽  
Intramolecular Hydrogen ◽  
Ring Motif ◽  
Base Moiety

The title compound, C15H12N2O2S, crystallizes in the orthorhombic space groupPna21, with two molecules in the asymmetric unit (Z′ = 2). Each molecule consists of a 2-hydroxy Schiff base moiety linked through a spacer to a 2-aminobenzothiazole moiety. Each molecule contains an intramolecular hydrogen bond between the –OH group and imine N atom, forming a six-membered ring. The two independent molecules are linked by a pair of C—H...O hydrogen bonds, forming dimers with anR22(20) ring motif. These dimers are further lined into sheets in theabplane by weak intermolecular C—H...N interactions. The structure was refined as an inversion twin

Poly[μ-aqua-aqua-μ-3-carboxypyrazine-2-carboxylato-sodium(I)]

2006 ◽  
Vol 62 (5) ◽  
pp. m945-m947 ◽  
Author(s):  
Mustafa Tombul ◽  
Kutalmış Güven ◽  
Nazım Alkış
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Coordination Number ◽  
Intramolecular Hydrogen Bond ◽  
Title Compound ◽  
Carboxyl Groups ◽  
Water Molecules ◽  
Dimeric Unit ◽  
Carboxylate Groups ◽  
Intramolecular Hydrogen

The crystal structure of the title compound, [Na(C6H3N2O4)(H2O)2] n , consists of molecular ribbons containing octahedral NaO5N units. Two adjacent Na atoms are bridged by two water molecules to give a centrosymmetric dimeric unit. Each Na centre is coordinated by two carboxylate groups. The ligand also uses one N atom to coordinate to Na. In addition, each Na atom is coordinated by one water O atom, raising the coordination number to six. One of the carboxyl groups retains its H atom, which takes part in an O—H...O [O...O = 2.563 (1) Å] intramolecular hydrogen bond.

Hydrogen-bridged chelate ring-assisted π-stacking interactions

2012 ◽  
Vol 68 (1) ◽  
pp. 71-79 ◽  
Author(s):  
Hasan Karabıyık ◽  
Hande Karabıyık ◽  
Nazan Ocak İskeleli
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Intramolecular Hydrogen Bond ◽  
Tautomeric Form ◽  
Chelate Ring ◽  
Molecular Crystals ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Π Stacking ◽  
Intramolecular Hydrogen

A salicylideneaniline (SA) derivative, (6Z)-6-({[2-(hydroxymethyl)phenyl]amino}methylidene)-3,5-dimethoxycyclohexa-2,4-dien-1-one monohydrate, has an increased aromaticity within its hydrogen-bridged chelate ring owing to its NH character. In the reported crystal structure, nonconventional π-stacking interactions, which are referred to as hybrid π-stacking interactions, are observed between a quasiaromatic chelate ring, formed as a result of the resonance-assisted intramolecular hydrogen bond and ordinary aromatic rings. Besides, π-stacking interactions are also seen between two hydrogen-bridged quasiaromatic chelate rings, which are referred to as pure π-stacking interactions. A CSD search has revealed that both kinds of interactions are frequently observed in molecular crystals of SA derivatives in fully or partially NH tautomeric form, and aromaticity levels of certain fragments of SA derivatives have dramatic effects on their stacking arrangements. These interactions are distinguished from the usual π...π interactions by their formation character, i.e. both σ- and π-deficient and σ-deficient character of pure interactions is more pronounced than that of the hybrid ones.

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