scholarly journals A new polymorph of 5,5′-(ethane-1,2-diyl)bis(1H-tetrazole)

2012 ◽  
Vol 68 (4) ◽  
pp. o989-o989 ◽  
Author(s):  
Cheng-Fang Qiao ◽  
Chun-Sheng Zhou ◽  
Qing Wei ◽  
Zheng-Qiang Xia
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Mirror Plane ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

The asymmetric unit of the title compound, C4H6N8, contains a quarter of the molecule, which possesses a crystallographically imposed centre of symmetry with all non-H atoms situated on a mirror plane. The crystal packing exhibits intermolecular N—H...N hydrogen bonds and π–π stacking interactions between the tetrazole rings of adjacent molecules [centroid–centroid distance = 3.4402 (10) Å].

scholarly journals 3-Ethyl-1H-1,2,4-triazole-5(4H)-thione

2012 ◽  
Vol 68 (6) ◽  
pp. o1802-o1802 ◽  
Author(s):  
Bi Jing ◽  
Yuao-Chao Du ◽  
Ai-Xin Zhu
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Interplanar Distance ◽  
Mirror Plane ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

The molecule of the title compound, C4H7N3S, exists as the thione tautomer in the solid state. The asymmetric unit consits of one molecule in which all atoms are located on a crystallographic mirror plane. In the crystal, adjacent molecules are linked by N—H...N and N—H...S hydrogen bonds into chains running along the a axis. π–π stacking interactions between the triazole rings [centroid–centroid distance = 3.740 (1) Å and interplanar distance = 3.376 Å] may further stabilize the structure.

(E)-2-Bromo-4,5-dimethoxybenzaldehyde oxime

2006 ◽  
Vol 62 (5) ◽  
pp. o1946-o1947
Author(s):  
Xiang Li ◽  
Da-Min Tian
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The title compound, C9H10BrNO3, which exists as the E isomer, crystallizes with two independent molecules in the asymmetric unit. The bond lengths and angles in both molecules are normal. The crystal packing is stabilized by intermolecular O—H...O hydrogen bonds, which link the molecules into circular tetramers, and by weak π–π stacking interactions.

scholarly journals Ethyl 1-(2-bromoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate

2012 ◽  
Vol 68 (8) ◽  
pp. o2513-o2513 ◽  
Author(s):  
Ling Yin ◽  
Yi Wang ◽  
Ying-Ying Wang ◽  
Jian-Wu Wang
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

In the title compound, C15H17BrN2O3, the dihedral angle between the benzene and pyrazole rings is 5.63 (2)°. The crystal packing is stabilized by weak π–π stacking interactions [centroid–centroid distance = 3.927 (5) Å] and intermolecular C—H...O and C—H...Br hydrogen bonds.

scholarly journals (Z)-1-(2-Chlorophenyl)-3-methyl-4-[2-(4-nitrophenyl)hydrazin-1-ylidene]-1H-pyrazol-5(4H)-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2351-o2352 ◽  
Author(s):  
Carlos Bustos ◽  
Andrés Escobar-Fuentealba ◽  
Luis Alvarez-Thon ◽  
Rodrigo Faundez-Gutierrez ◽  
Maria Teresa Garland
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

There are two independent molecules,AandB, in the asymmetric unit of the title compound, C16H12ClN5O3. The relative orientations of the chlorophenyl ring with respect to the pyrazole ring in the two crystallographically independent molecules are different, and their corresponding dihedral angles are −53.3 (2) and 114.09 (18)° in moleculesAandB, respectively. There are two strong intramolecular N—H...O hydrogen bonds, and two weak intramolecular C—H...O and C—H...Cl hydrogen bonds. The crystal packing is constructed by weak C—H...O and N—H...O interactions, and two π–π stacking interactions [centroid–centroid distances = 3.7894 (9) and 3.5719 (10) Å], forming a molecular ladder along theaaxis.

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].

[(Z)-2-(3-Methyl-1,2,4-oxadiazol-5-yl)-2-(1-naphthyl)ethenylamino]formaldehyde oxime 1,4-dioxane hemisolvate

2007 ◽  
Vol 63 (11) ◽  
pp. o4261-o4262
Author(s):  
Kensuke Okuda ◽  
Hiromi Watanabe ◽  
Takashi Hirota ◽  
Kazuma Gotoh ◽  
Hiroyuki Ishida
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Solvent Molecule ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Independent Molecules

In the asymmetric unit of the title compound, C16H14N4O2·0.5C4H8O2, there are two crystallographically independent oxime molecules and one solvent molecule. Each oxime molecule has intramolecular N—H...O and N—H...N hydrogen bonds, which make the non-H atoms approximately coplanar except for the naphthyl groups. The two independent molecules are connected to each other by O—H...N hydrogen bonds, forming a dimer. Dimers are linked into a layer through C—H...O, C—H...N and C—H...π interactions. There is π-stacking of approximately parallel oxadiazole rings, with a centroid–centroid distance of 3.6234 (9) Å and a dihedral angle of 8.90 (6)°. Dioxane C and H atoms are disordered over two sites each, with occupancy factors of ca 0.78:0.22.

scholarly journals N-(6-Chloro-1-methyl-1H-imidazo[4,5-c]pyridin-4-yl)benzenesulfonamide

2014 ◽  
Vol 70 (4) ◽  
pp. o445-o445
Author(s):  
Venkatesh B. Devaru ◽  
K. S. Katagi ◽  
O. Kotresh ◽  
H. K. Arunkashi ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

The asymmetric unit of the title compound, C13H11ClN4O2S, contains two molecules (AandB), in which the dihedral angles between the 1H-imidazo[4,5-c]pyridine system and terminal phenyl ring are 80.83 (10) and 62.34 (1)°. In the crystal,A–Bdimers are linked by pairs of N—H...N hydrogen bonds, which generateR22(10) loops. The dimers are linked by C—H...O and C—H...Cl interactions, generating a three-dimensional network. Aromatic π–π stacking interactions [shortest centroid–centroid distance = 3.5211 (12) Å] are also observed.

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).

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