scholarly journals 1,3-Thiazole-4-carbonitrile

IUCrData ◽  
2021 ◽  
Vol 6 (12) ◽  
Author(s):  
Martin J. G. Fait ◽  
Anke Spannenberg ◽  
Evgenii V. Kondratenko ◽  
David Linke
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Nitrile Group ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking

The title compound, C4H2N2S, is a 1,3-thiazole substituted in the 4-position by a nitrile group. In the crystal, C—H...N hydrogen bonds and aromatic π–π stacking interactions are observed.

scholarly journals Crystal structure of 2-bromo-1,4-dihydroxy-9,10-anthraquinone

2014 ◽  
Vol 70 (10) ◽  
pp. o1130-o1130 ◽  
Author(s):  
Wataru Furukawa ◽  
Munenori Takehara ◽  
Yoshinori Inoue ◽  
Chitoshi Kitamura
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network

In an attempt to brominate 1,4-dipropoxy-9,10-anthraquinone, a mixture of products, including the title compound, C14H7BrO4, was obtained. The molecule is essentially planar (r.m.s. deviation = 0.029 Å) and two intramolecular O—H...O hydrogen bonds occur. In the crystal, the molecules are linked by weak C—H...O hydrogen bonds, Br...O contacts [3.240 (5) Å], and π–π stacking interactions [shortest centroid–centroid separation = 3.562 (4) Å], generating a three-dimensional network.

5-Nitrosalicylaldehyde (2-hydroxybenzoyl)hydrazone

2006 ◽  
Vol 62 (7) ◽  
pp. o3026-o3027 ◽  
Author(s):  
Hong-Mei Xu ◽  
Shi-Xiong Liu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Compound C ◽  
Π Stacking

The molecule of the title compound, C14H11N3O5, is approximately planar, the dihedral angles between the two aromatic rings being 4.63 (7)°. O—H...N, N—H...O and O—H...O hydrogen bonds and π–π stacking interactions help to consolidate the crystal packing.

scholarly journals 6-Fluoro-4-oxo-4H-chromene-3-carbaldehyde

2014 ◽  
Vol 70 (5) ◽  
pp. o583-o583 ◽  
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Axis Direction ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
The Mean

In the title compound, C10H5FO3, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0071 Å), with the largest deviation from the mean plane [0.0203 (15) Å] being found for the ring C atom in the 2-position. In the crystal, molecules are linked into a three-dimensional architectureviaC—H...O hydrogen bonds and π–π stacking interactions between the chromone units along thea-axis direction [centroid–centroid distance between the benzene and pyran rings = 3.707 (2) Å].

scholarly journals 4-{[Bis(2-hydroxyethyl)amino]methyl}-6-methoxy-2H-chromen-2-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2413-o2414
Author(s):  
Reshma Naik ◽  
Ravish Sankolli ◽  
G. N. Anil Kumar ◽  
T. N. Guru Row ◽  
Manohar V. Kulkarni
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Side Chains ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

In the title compound, C15H19NO5, an intramolecular O—H...O hydrogen bond links the hydroxyethyl side chains, forming a seven-membered ring. In the crystal, molecules are linked into chainsviaO—H...O hydrogen bonds along thebaxis. Further, molecules are linked by weak intermolecular C—H...O and π–π stacking interactions [centroid–centroid distance = 3.707 (4) Å].

scholarly journals N-Methyl-N-nitroso-p-toluenesulfonamide

2014 ◽  
Vol 70 (7) ◽  
pp. o782-o782
Author(s):  
Kartik Rai ◽  
Vincent Wu ◽  
Priya Gupta ◽  
David A. Laviska ◽  
Benny C. Chan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Methyl Groups ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

The crystal structure of the title compound, C8H10N2O3S, displays predominant C—H...O hydrogen-bonding and π–π stacking interactions. The hydrogen bonds are between the O atoms of the sulfonyl group and H atoms on methyl groups. The π–π stacking interactions occur between adjacent aromatic rings, with a centroid–centroid distance of 3.868 (11) Å. These interactions lead to the formation of chains parallel to (101).

scholarly journals 3-(4-Chlorophenyl)-5-[4-(methylsulfanyl)phenyl]-1H-pyrazole

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Ganesan Suresh ◽  
Sarangapani Muniraj
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network

In the title compound, C16H13ClN2S, the pyrazole ring is almost planar with an r.m.s. deviation of 0.0457 Å which forms dihedral angles of 2.875 (4) and 84.83 (7)° with the chloro-substituted benzene ring and the methylsulfanyl-substituted ring, respectively. In the crystal, N—H...N and C—H...Cl hydrogen bonds contribute to the formation of a three-dimensional network. In addition, several offset π–π stacking interactions are also present.

scholarly journals 3,3′-[(1E,1′E)-Hydrazine-1,2-diylidenebis(ethan-1-yl-1-ylidene)]bis(4-hydroxy-6-methyl-2H-pyran-2-one)

IUCrData ◽  
2019 ◽  
Vol 4 (10) ◽  
Author(s):  
Abouelhaoul El Alami ◽  
Sdassi Hamid ◽  
Abdellatif El Kihel ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Stacking Interactions ◽  
Axis Direction ◽  
Compound C ◽  
Π Stacking ◽  
Ring Motif

The title compound, C16H16N2O6, lies about an inversion centre at the mid-point of the N—N bond. The molecule features two intramolecular O—H...N and two C—H...O hydrogen bonds, each of which forms an S(6) ring motif. In the crystal, molecules are linked by C—H...O hydrogen bonds into infinite zigzag chains propagating along the c-axis direction. π–π stacking interactions between the pyrone rings [centroid–centroid distances = 3.975 (2) Å] stack the molecules along b.

scholarly journals (3Z)-3-Benzylidene-1H-benzimidazo[1,2-a]imidazol-2(3H)-one

IUCrData ◽  
2016 ◽  
Vol 1 (12) ◽  
Author(s):  
Mohammed Rida ◽  
Youness El Bakri ◽  
El Mokhtar Essassi ◽  
Joel T. Mague
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Conformation ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Ring Interaction

In the title compound, C16H11N3O, the molecular conformation is partially determined by an intramolecular C—H...π(ring) interaction. In the crystal, pairwise N—H...N hydrogen bonds form dimers, which associate into stacks through a combination of C—H...O, C—H...π(ring) and offset π–π stacking interactions.

scholarly journals 1-[(2E)-3-Phenylprop-2-en-1-yl]-1H-indole-2,3-dione

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Fatima Zahrae Qachchachi ◽  
Youssef Kandri Rodi ◽  
Amal Haoudi ◽  
El Mokhtar Essassi ◽  
Frédéric Capet ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Stacking Interactions ◽  
Indole Ring ◽  
Axis Direction ◽  
Compound C ◽  
Π Stacking

In the title compound, C17H13NO2, the indole ring is essentially planar (r.m.s. deviation = 0.027 Å) and is oriented at an angle of 69.33 (7)° with respect to the phenyl ring. In the crystal, C—H...O hydrogen bonds link the molecules, forming zigzag chains propagating along thea-axis direction. Within the chains there are π–π stacking interactions [centroid–centroid distances = 3.7163 (8) and 3.7162 (8) Å] involving isatin groups of neighbouring molecules.

scholarly journals N,N-Diethyl-2-[5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

IUCrData ◽  
2017 ◽  
Vol 2 (5) ◽  
Author(s):  
Vijayan Viswanathan ◽  
Sabina Yasmin ◽  
Venkatesan Jayaprakash ◽  
Devadasan Velmurugan
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Conformation ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Phenyl Rings

In the title compound, C17H20N2O4S, the thiazolidine (r.m.s. deviation = 0.022 Å) and phenyl rings (major and minor occupancies) are inclined to one another by 6.3 (3) and 10.5 (3)°, respectively. The molecular conformation is stabilized by an intramolecular C—H...S interaction. In the crystal, molecules are linked by C—H...O hydrogen bonds, which generateR22(18),R22(24) andR21(7) ring motifs. Aromatic π–π stacking interactions are also observed.

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