scholarly journals Pyrazine-2(1H)-thione

IUCrData ◽  
2021 ◽  
Vol 6 (10) ◽  
Author(s):  
Adrian Olszewski ◽  
Kinga Wzgarda-Raj
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Isonicotinic Acid ◽  
Ethanol Solution ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Compound C

The title compound, C4H4N2S, was obtained by the reduction of 2-mercaptopyrazine (during its crystallization with 2-mercaptopyrazine and isonicotinic acid N-oxide in ethanol solution. It crystallizes in the monoclinic space group P21/m. In the crystal, the molecules are linked by N—H...N and C—H...S hydrogen bonds.

scholarly journals (1S,2R,8R)-11-Amino-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodec-10-en-9-one

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
Mustapha Ait Elhad ◽  
Ahmed Benharref ◽  
Lahcen El Ammari ◽  
Mohamed Saadi ◽  
Abdelouahd Oukhrib ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Monoclinic Space Group ◽  
Boat Conformation ◽  
Asymmetric Unit ◽  
Space Group ◽  
Axis Direction ◽  
Compound C ◽  
Independent Molecules

The title compound, C16H23Cl2NO, crystallizes in the monoclinic space groupP21with two independent molecules (AandB) in the asymmetric unit. They have essentially the same conformation. Each molecule is built up from fused six- and seven-membered rings and an additional three-membered ring. The six-membered ring has an envelope conformation, with the C atom belonging to the three-membered ring forming the flap, while the seven-membered ring displays a boat conformation. In the crystal, molecules are linked into chains propagating along thea-axis direction by N—H...O hydrogen bonds.

scholarly journals Two polymorphs of 2-(prop-2-yn-1-yloxy)naphthalene-1,4-dione: solvent-dependent crystallization

2018 ◽  
Vol 74 (12) ◽  
pp. 1731-1734
Author(s):  
Flaviano Melo Ottoni ◽  
Raquel Geralda Isidório ◽  
Ricardo José Alves ◽  
Nivaldo Lúcio Speziali
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Isopropyl Alcohol ◽  
Molecular Structures ◽  
Monoclinic Space Group ◽  
Monoclinic Crystal ◽  
Triclinic Space Group ◽  
Space Group ◽  
Π Interactions ◽  
Compound C

The title compound, C13H8O3, crystallizes in two polymorphs, namely the monoclinic (space groupP21/c) and triclinic (space groupPī) forms, obtained fromN,N-dimethylformamide and isopropyl alcohol solutions, respectively. The molecular structures and conformations in the two forms are essentially the same as each other. The naphthoquinone ring systems are essentially planar with r.m.s. deviations of 0.015 and 0.029 Å for the monoclinic and triclinic forms, respectively. TheO-propargyl groups are coplanar with the naphthoquinone units with r.m.s deviations ranging from 0.04 to 0.09 Å. In the monoclinic crystal, molecules are linkedviapairs of C—H...O hydrogen bonds, forming a tape structure running along [120]. The tapes are further linked by a C—H...π interaction into a layer parallel to theabplane. Adjacent layers are linked by another C—H...π interaction. In the triclinic crystal, molecules are linkedviaC—H...O and π–π interactions, forming a layer parallel to theabplane. Adjacent layers are linked by a C—H...π interaction.

scholarly journals A new polymorph ofN-(2-{N′-[(1E)-2-hydroxybenzylidene]hydrazinecarbonyl}phenyl)benzamide

2014 ◽  
Vol 70 (6) ◽  
pp. o645-o646
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Herman Potgieter ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Monoclinic Space Group ◽  
Acta Cryst ◽  
Space Group ◽  
Compound C

The title compound, C21H17N3O3, is a new polymorph of an already published structure [Shashidharet al.(2006).Acta Cryst.E62, o4473–o4475]. The previously reported structure crystallizes in the monoclinic space groupC2/c, whereas the structure reported here is in the tetragonal space groupI41/a. The bond lengths and angles are similar in both structures. The molecule adopts an extended conformationviaintramolecular N—H...O and O—H...N hydrogen bonds; the terminal phenyl ring and the hydroxylphenyl ring are twisted with respect to the central benzene ring by 44.43 (7) and 21.99 (8)°, respectively. In the crystal, molecules are linked by N—H...O hydrogen bonds, weak C—H...O hydrogen bonds and weak C—H...π interactions into a three-dimensional supramolecular network.

scholarly journals A second polymorph of (Z)-3-amino-4-(2-phenylhydrazinylidene)-1H-pyrazol-5(4H)-one

2014 ◽  
Vol 70 (2) ◽  
pp. o141-o142
Author(s):  
Abdel-Sattar S. Hamad Elgazwy ◽  
Peter G. Jones
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
Acta Cryst ◽  
Triclinic Space Group ◽  
Space Group ◽  
Compound C

The molecule of the title compound, C9H9N5O, is approximately planar (the r.m.s. deviation of all non-H atoms is 0.08 Å). The amine substituent is pyramidal at the N atom. An intramolecular N—Hhydrazine...O=C hydrogen bond is present. In the crystal, molecules are connectedviaN—H...N and N—H...O hydrogen bonds, forming infinite layers parallel to (010). This polymorph is triclinic, space groupP-1, whereas the previously reported form was monoclinic, space groupP21/c[Elgemeieet al.(2013).Acta Cryst. E69, o187], with stepped layers and a significantly lower density.

scholarly journals 1-(4-Methoxyphenylsulfonyl)-5-methyl-5-phenylimidazolidine-2,4-dione

2009 ◽  
Vol 65 (6) ◽  
pp. o1207-o1208 ◽  
Author(s):  
Abid Hussain ◽  
Shahid Hameed ◽  
Helen Stoeckli-Evans
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Phenyl Group ◽  
Monoclinic Space Group ◽  
Asymmetric Unit ◽  
Space Group ◽  
Compound C ◽  
Centrosymmetric Dimers

The title compound, C17H16N2O5S, crystallized in the chiral monoclinic space groupP21, with two enantiomeric molecules (AandB) in the asymmetric unit. It is composed of a methylimidazolidine-2,4-dione unit substituted with a phenyl group and a 4-methoxyphenylsulfonyl group. The benzene ring mean planes are inclined to one another by 22.20 (14)° in moleculeAand by 15.82 (13)° in moleculeB. In the crystal structure, theAandBmolecules are linked by N—H...O hydrogen bonds, forming centrosymmetric dimers. A number of C—H...O interactions are also present in the crystal structure, leading to the formation of a three-dimensinoal network.

Crystal and molecular structure of di-o-anisylketone

1985 ◽  
Vol 63 (12) ◽  
pp. 3374-3377 ◽  
Author(s):  
C. Faerman ◽  
S. C. Nyburg ◽  
G. Punte ◽  
B. E. Rivero ◽  
A. A. Vitale ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Compound C ◽  
Twist Conformation ◽  
Oxygen Atoms

The crystal and molecular structure of the title compound, C15H14O3, is described. Crystals are monoclinic, space group P21/n, a = 9.893(5), b = 10.719(5), c = 12.136(3) Å, β = 90.56(3)°. The molecule has a twist conformation and interactions between oxygen atoms of the methoxyl groups are thought to play some part in this.

Synthesis and photophysical properties of 2,5,8,11-tetrakis(5-hexylthiophen-2-yl)tetrathieno[2,3-a:3′,2′-c:2′′,3′′-f:3′′′,2′′′-h]naphthalene

2013 ◽  
Vol 69 (6) ◽  
pp. 634-637 ◽  
Author(s):  
Libin Gao
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Photophysical Properties ◽  
Planar Geometry ◽  
Monoclinic Space Group ◽  
Slow Evaporation ◽  
Space Group ◽  
Compound C ◽  
Alkyl Side Chains ◽  
The Mean

The title compound, C58H64S8, has been prepared by Pd-catalysed direct C—H arylation of tetrathienonaphthalene (TTN) with 5-hexyl-2-iodothiophene and recrystallized by slow evaporation from dichloromethane. The crystal structure shows a completely planar geometry of the TTN core, crystallizing in the monoclinic space groupP21/c. The structure consists of slipped π-stacks and the interfacial distance between the mean planes of the TTN cores is 3.456 (5) Å, which is slightly larger than that of the comparable derivative of tetrathienoanthracene (TTA) with 2-hexylthiophene groups. The packing in the two structures is greatly influenced by both the aromatic core of the structure and the alkyl side chains.

scholarly journals Crystal structure of methyl 1,3-benzoxazole-2-carboxylate

2021 ◽  
Vol 77 (11) ◽  
Author(s):  
Alexandre Poirot ◽  
Nathalie Saffon-Merceron ◽  
Nadine Leygue ◽  
Eric Benoist ◽  
Suzanne Fery-Forgues
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Space Group ◽  
Π Interactions ◽  
Compound C ◽  
Planar Molecules

The title compound, C9H7NO3, crystallizes in the monoclinic (P21) space group. In the crystal, the almost planar molecules display a flattened herringbone arrangement. Stacking molecules are slipped in the lengthwise and widthwise directions and are linked by π–π interactions [d(Cg...Cg = 3.6640 (11) Å]. The structure is characterized by strong C—H...N and weak C—H...O hydrogen bonds, and further stabilized by C–O...π interactions.

scholarly journals Intramolecular 1,5-S...N σ-hole interaction in (E)-N′-(pyridin-4-ylmethylidene)thiophene-2-carbohydrazide

2020 ◽  
Vol 76 (4) ◽  
pp. 557-561
Author(s):  
Valeri V. Mossine ◽  
Steven P. Kelley ◽  
Thomas P. Mawhinney
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Molecular Conformation ◽  
Monoclinic Space Group ◽  
Compound C ◽  
Hole Interaction

The title compound, C11H9N3OS, (I), crystallizes in the monoclinic space group P21/n. The molecular conformation is nearly planar and features an intramolecular chalcogen bond between the thiophene S and the imine N atoms. Within the crystal, the strongest interactions between molecules are the N—H...O hydrogen bonds, which organize them into inversion dimers. The dimers are linked through short C—H...N contacts and are stacked into layers propagating in the (001) plane. The crystal structure features π–π stacking between the pyridine aromatic ring and the azomethine double bond. The calculated energies of pairwise intermolecular interactions within the stacks are considerably larger than those found for the interactions between the layers.

scholarly journals [(1R,3S)-2,2-Dichloro-3-(hydroxymethyl)cyclopropyl]methanol

2013 ◽  
Vol 69 (2) ◽  
pp. o225-o225
Author(s):  
Mohammed H. Kailani
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Halogen Bonding ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Space Group ◽  
Compound C

The title compound, C5H8Cl2O2, represents amesoisomer crystallizing in a chiral space group with two molecules per asymmetric unit. The molecules form helical associates with a pitch of 6.31 Å along theaaxisviaO—H...O hydrogen bonds. The overall three-dimesional supramolecular architecture is stabilized by C—Cl...O halogen bonding, with a Cl...O separation of 3.139 (3) Å and a C—Cl...O angle of 162.5 (2)°.

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