scholarly journals 2-{4-[(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl}acetonitrile

2009 ◽  
Vol 65 (6) ◽  
pp. o1296-o1296
Author(s):  
Rui Li ◽  
Zhen-Yu Ding ◽  
Yu-Quan Wei ◽  
Jian Ding
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C ◽  
Phenyl Acetonitrile ◽  
Dioxane Ring

The title compound, C15H14N2O4, is approximately planar, with a dihedral angle of 6.48 (4)° between the aminomethylene unit and the planar five-atom part of the dioxane ring, and a dihedral angle of 2.40 (4)° between aminomethylene unit and the phenylene ring. The dioxane ring is envelope shaped, with the dimethyl-substituted C atom that represents the flap 0.535 (8) Å out of the plane. The molecule has an intramolecular N—H...O hydrogen bond.

4-(Acetylaminomethyl)-1-methylpyridinium iodide

2007 ◽  
Vol 63 (11) ◽  
pp. o4278-o4278
Author(s):  
Alexandra M. Z. Slawin ◽  
William T. A. Harrison
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C ◽  
Acetyl Group

In the title compound, C9H13N2O+·I−, the dihedral angle between the aromatic ring and the N-acetyl group is 73.93 (8)°. In the crystal structure, the cation and anion interact by way of an N—H...I hydrogen bond.

scholarly journals Methyl 2-butyl-4-hydroxy-1,1-dioxo-2H-1,2-benzothiazine-3-carboxylate

2012 ◽  
Vol 68 (6) ◽  
pp. o1663-o1663 ◽  
Author(s):  
Muhammad Nadeem Arshad ◽  
Islam Ullah Khan ◽  
Muhammad Zia-ur-Rehman ◽  
Waseem Ahmed ◽  
Abdullah M. Asiri
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Compound C ◽  
Thiazine Ring ◽  
Ring Motif

In the title compound, C14H17NO5S, the thiazine ring adopts a half-chair conformation. The molecule exhibits an intramolecular O—H...O hydrogen bond, which forms a six-membered S(6) ring motif. The planes of the benzene and thiazine rings are inclined at a dihedral angle of 15.30 (12)°.

scholarly journals 1-{2-Hydroxy-6-[3-(pyrrol-1-yl)propoxy]phenyl}ethanone

2012 ◽  
Vol 68 (4) ◽  
pp. o1083-o1083 ◽  
Author(s):  
Ali Ourari ◽  
Djouhra Aggoun ◽  
Sofiane Bouacida
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean

In the title compound, C15H17NO3, the mean planes of the pyrrole and benzene rings form a dihedral angle of 81.92 (7)°. The molecule contains an intramolecular O—H...O hydrogen bond. In the crystal, weak C—H...π interactions link the molecules into chains along [010].

scholarly journals (E)-N-{3-[(m-Tolylimino)methyl]pyridin-2-yl}pivalamide

IUCrData ◽  
2017 ◽  
Vol 2 (11) ◽  
Author(s):  
Şehriman Atalay ◽  
Semra Gerçeker ◽  
Seher Meral
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Methyl Groups ◽  
Compound C ◽  
Benzene Rings

In the title compound, C18H21N3O, the dihedral angle between the pyridine and benzene rings is 30.53 (7)° and the C—C=N—C torsion angle is −170.6 (2)°. An intramolecular N—H...N hydrogen bond generates anS(6) ring. In the crystal, very weak C—H...O hydrogen bonds link the molecules intoC(8) [101] chains. Thetert-butyl methyl groups are disordered over two sets of sites in a 0.783 (4):0.217 (4) ratio.

scholarly journals (E)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
Md. Azharul Arafath ◽  
Farook Adam ◽  
Mohd. R. Razali
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Zigzag Chain ◽  
Aromatic Rings ◽  
Methyl Group ◽  
Compound C

In the title compound, C14H14N2O, the dihedral angle between the aromatic rings is 5.54 (9)°. The conformation is reinforced by an intramolecular O—H...N hydrogen bond, which closes anS(6) ring. The pyridine N atom and methyl group lie to opposite sides of the molecule. In the crystal, the molecules are linked into a zigzag chain propagating in [0-11] by weak C—H...O hydrogen bonds.

scholarly journals 1-{2-Anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carbonyl]thiophen-3-yl}ethanone

IUCrData ◽  
2018 ◽  
Vol 3 (3) ◽  
Author(s):  
Gamal A. El-Hiti ◽  
Bakr F. Abdel-Wahab ◽  
Rizk E. Khidre ◽  
Mohamed S. Mostafa ◽  
Amany S. Hegazy ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C24H22N4O2S, the dihedral angle between the triazole and thiophene rings is 4.83 (14)°. The dihedral angles between the triazole and tolyl rings and between the thiophene and phenyl rings are 48.42 (16) and 9.23 (13)°, respectively. An intramolecular N—H...O hydrogen bond closes anS(6) loop. In the crystal, molecules are stacked parallel to thea-axis direction with weak π–π interactions between adjacent thiophenyl and triazolyl groups within the stack [centroid–centroid separation = 3.9811 (16) Å].

scholarly journals Crystal structure of 1-benzyl-4-formyl-1H-pyrrole-3-carboxamide

2016 ◽  
Vol 72 (2) ◽  
pp. 133-135
Author(s):  
Qi-Di Zhong ◽  
Sheng-Quan Hu ◽  
Hong Yan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Bond Forming ◽  
Compound C ◽  
The Mean ◽  
Ring Motif

In the title compound, C13H12N2O2(I), the mean planes of the pyrrole and benzyl rings are approximately perpendicular, forming a dihedral angle of 87.07 (4) °. There is an intramolecular N—H...O hydrogen bond forming an S(7) ring motif. In the crystal, molecules are linkedviaa pair of N—H...O hydrogen bonds forming inversion dimers. C—H...O hydrogen bonds link the dimers into chains along direction [10-1]. The chains are further linked by weak C—H...π interactions forming layers parallel to theacplane.

scholarly journals 4-Chloro-5-(morpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3(2H)-one

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
Yanwen Sun ◽  
Haolei Wu ◽  
Changheng Wei ◽  
Mei Gao ◽  
Zeyi Shen ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Bond Forming ◽  
Compound C ◽  
Pyridazine Ring ◽  
Morpholine Ring

In the title compound, C17H16ClN5O3, the phenyl and the oxadiazole rings are almost coplanar, subtending a dihedral angle of 4.34 (19)°. These rings lie almost normal to the pyridazine ring, making dihedral angles of 87.35 (16) and 89.06 (15)°, respectively. The morpholine ring has the usual chair conformation and its mean plane is inclined to the pyridazine ring by 39.45 (17)°. There is a short intramolecular C—H...Cl contact present. In the crystal, molecules are linked by bifurcated C—(H,H)...O hydrogen bonds and a C—H...N hydrogen bond, forming layers parallel to the ab plane.

scholarly journals (Z)-4-n-Butyl-2-(4-chlorobenzylidene)-2H-1,4-benzothiazin-3(4H)-one

IUCrData ◽  
2017 ◽  
Vol 2 (6) ◽  
Author(s):  
Mohamed Ellouz ◽  
Nada Kheira Sebbar ◽  
Younes Ouzidan ◽  
Manpreet Kaur ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Crystal Packing ◽  
Boat Conformation ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C19H18ClNOS, the thiazin-3-one ring adopts a slightly distorted screw-boat conformation. An intramolecular C—H...S hydrogen bond encloses anS(6) ring and affects the overall conformation of the molecule. The dihedral angle between the two phenyl rings is 52.3 (2)°. In the crystal, weak C—H...O intermolecular interactions stabilize the crystal packing.

scholarly journals Crystal structure of 2-{[1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-yloxy]carbonyl}benzoic acid

2014 ◽  
Vol 70 (12) ◽  
pp. o1237-o1238
Author(s):  
Hafiz Abdullah Shahid ◽  
Sajid Jahangir ◽  
Syed Adnan Ali Shah ◽  
Hamizah Mohd Zaki ◽  
Humera Naz
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzoic Acid ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C

In the title compound, C15H15N3O6, the dihedral angle between the planes of the benzene and imidazole rings is 34.93 (10)°. An intramolecular C—H...O hydrogen bond is observed. In the crystal, O—H...N hydrogen bonds link the molecules into chains parallel to thecaxis.

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