scholarly journals 4-Amino-6-(piperidin-1-yl)pyrimidine-5-carbonitrile

IUCrData ◽  
2020 ◽  
Vol 5 (3) ◽  
Author(s):  
Radhika Bhat ◽  
K. N. Shraddha ◽  
Noor Shahina Begum
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Axial Orientation ◽  
Piperidine Ring ◽  
Stacking Interaction ◽  
Compound C ◽  
Π Stacking Interaction ◽  
The Mean

In the title compound, C10H13N5, the piperidine ring adopts a chair conformation with the exocyclic N—C bond in an axial orientation, and the dihedral angle between the mean planes of piperidine and pyrimidine rings is 49.57 (11)°. A short intramolecular C—H...N contact generates an S(7) ring. In the crystal, N—H...N hydrogen bonds link the molecules into (100) sheets and a weak aromatic π-π stacking interaction is observed [centroid–centroid separation = 3.5559 (11) Å] between inversion-related pyrimidine rings.

scholarly journals Crystal structure of 4-chloro-N-[2-(piperidin-1-yl)ethyl]benzamide monohydrate

2015 ◽  
Vol 71 (1) ◽  
pp. o39-o40 ◽  
Author(s):  
K. Prathebha ◽  
D. Reuben Jonathan ◽  
B. K Revathi ◽  
S. Sathya ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Compound C ◽  
The Mean

In the title compound, C14H19ClN2O2·H2O, the piperdine ring adopts a chair conformation. The dihedral angle between the mean plane of the piperidine ring and that of the phenyl ring is 41.64 (1)°. In the crystal, molecules are linked by O—H...N, N—H...O and C—H...O hydrogen bonds involving the water molecule, forming double-stranded chains propagating along [010].

scholarly journals N-Cyclohexyl-N-{[3-(4,6-dimethoxypyrimidin-2-yloxy)pyridin-2-yl]methyl}4,6-dimethoxypyrimidin-2-amine

2012 ◽  
Vol 68 (4) ◽  
pp. o1272-o1272
Author(s):  
De-Cai Wang ◽  
Yu-Jing Wang ◽  
Jun-Song Song ◽  
Ping Wei ◽  
Ping-Kai Ou-yang
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Pyridine Ring ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Stacking Interaction ◽  
Compound C ◽  
Π Stacking ◽  
Π Stacking Interaction

In the title compound, C24H30N6O5, the cyclohexyl ring adopts a chair conformation, while the remainder of the molecule adopts a U-shape. The dihedral angles between the pyridine ring and the pendant pyrimidine rings are 69.04 (12) and 75.99 (9)°. The two pyrimidine rings, however, are nearly parallel to one another, with a dihedral angle of 8.56 (15)° between them. They are also involved in an intramolecular π–π stacking interaction with a distance of 3.6627 (18) Å between the ring centroids. In the crystal, C—H...O contacts link the molecules into chains along thebaxis.

scholarly journals 1-[4-(4-Hydroxyphenyl)piperazin-1-yl]ethanone

2013 ◽  
Vol 69 (11) ◽  
pp. o1671-o1671 ◽  
Author(s):  
Channappa N. Kavitha ◽  
Jerry P. Jasinski ◽  
Brian J. Anderson ◽  
H. S. Yathirajan ◽  
Manpreet Kaur
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Piperazine Ring ◽  
Compound C ◽  
Acetyl Group ◽  
The Mean

In the title compound, C12H16N2O2, the piperazine ring has a chair conformation. The dihedral angle between the mean planes of the benzene ring and the acetyl group is 48.7 (1)°. In the crystal, molecules are linkedviaO—H...O hydrogen bonds, forming chains propagating along [010].

scholarly journals Crystal structure of (4-chlorophenyl)(4-methylpiperidin-1-yl)methanone

2020 ◽  
Vol 76 (4) ◽  
pp. 534-538
Author(s):  
J. Srividya ◽  
D. Reuben Jonathan ◽  
B. K. Revathi ◽  
M. Divya Bharathi ◽  
G. Anbalagan
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Hirshfeld Surface ◽  
Piperidine Ring ◽  
Supramolecular Network ◽  
Compound C ◽  
The Mean

The title compound, C13H16ClNO, contains a methylpiperidine ring in the stable chair conformation. The mean plane of the twisted piperidine ring subtends a dihedral angle of 39.89 (7)° with that of the benzene ring. In the crystal, weak C—H...O interactions link the molecules along the a-axis direction to form infinite molecular chains. H...H interatomic interactions, C—H...O intermolecular interactions and weak dispersive forces stabilize molecular packing and form a supramolecular network, as established by Hirshfeld surface analysis.

scholarly journals 3-(2-Bromophenylsulfonyl)-5-cyclohexyl-2-methyl-1-benzofuran

2014 ◽  
Vol 70 (3) ◽  
pp. o324-o324 ◽  
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Short Distance ◽  
Crystal Packing ◽  
Chair Conformation ◽  
Π Interactions ◽  
Compound C ◽  
The Mean

In the title compound, C21H21BrO3S, the cyclohexyl ring adopts a chair conformation. The dihedral angle between the mean planes of the benzofuran and 2-bromophenyl fragments is 82.47 (5)°. In the crystal, molecules related by inversion are paired into dimersviaC—H...π and π–π interactions, the latter are indicated by the short distance of 3.607 (3) Å between the centroids of the furan rings. Intermolecular C—H...O hydrogen bonds and short Br...O [3.280 (1) Å] contacts further consolidate the crystal packing.

scholarly journals 2-(Piperidin-1-yl)-6-(1H-pyrrol-1-yl)pyridine-3,5-dicarbonitrile

2012 ◽  
Vol 68 (4) ◽  
pp. o938-o938 ◽  
Author(s):  
Peter N. Horton ◽  
Shaaban K. Mohamed ◽  
Ahmed M. Soliman ◽  
Eman M. M. Abdel-Raheem ◽  
Mehmet Akkurt
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyridine Ring ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Maximum Deviation ◽  
Compound C ◽  
Π Stacking

The piperidine ring of the title compound, C16H15N5, adopts a chair conformation. The pyridine ring is essentially planar, with a maximum deviation of 0.035 (3) Å. The pyrrole and pyridine rings are almost coplanar, forming a dihedral angle of 3.48 (14)°. In the crystal, no classical hydrogen bonds were found. In the crystal, the molecules are linked by aromatic π–π stacking [centroid–centroid separations = 3.4984 (16) and 3.9641 (15) Å between pyrrole and pyridine rings and between pyridine rings, respectively].

scholarly journals N-[(1-Benzoylpiperidin-4-yl)methyl]benzamide

2014 ◽  
Vol 70 (7) ◽  
pp. o771-o771 ◽  
Author(s):  
K. Prathebha ◽  
D. Reuben Jonathan ◽  
Sathya Shanmugam ◽  
G. Usha
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Dihedral Angles ◽  
Supramolecular Network ◽  
Compound C ◽  
Phenyl Rings ◽  
The Mean

In the title compound, C20H22N2O2, the piperidine ring adopts a chair conformation. The phenyl rings are inclined to one another by 80.1 (1)° and make dihedral angles of 46.1 (1) and 40.2 (1)° with the mean plane of the piperidine ring. In the crystal, pairs of N—H...O hydrogen bonds link the molecules into inversion dimers. C—H...O interactions further link the molecules, forming a three-dimensional supramolecular network.

scholarly journals (3aR,6R)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Abdellah N'Ait Ousidi ◽  
My Youssef Ait Itto ◽  
Aziz Auhmani ◽  
Abdelkhalek Riahi ◽  
Sylviane Chevreux ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Acidic Medium ◽  
Chair Conformation ◽  
Membered Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

The title compound, C11H19N3S, was prepared by the reaction of (R)-pulegone with thiosemicarbazide in acidic medium, using ethanol as solvent. The molecule is built up from fused six and five-membered rings. The six-membered ring adopts a chair conformation, while the five-membered ring displays an envelope conformation with the dimethyl-substituted C atom as the flap. The dihedral angle between the mean planes of the two rings is 20.35 (6)°. In the crystal, molecules are linked by N—H...N and N—H...S hydrogen bonds into chains running parallel to [100].

scholarly journals 9-Fluoro-2,4,4a,6-tetrahydrospiro[benzo[c]chromene-3,2′-[1,3]dioxolane]

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
I. Ayswariya ◽  
P. Rajalakshmi ◽  
R.V. Krishnakumar ◽  
N. Srinivasan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Pyran Ring ◽  
Compound C ◽  
Cyclohexene Ring ◽  
The Mean ◽  
Chromene Ring

In the title compound, C15H15FO3, the dihedral angle between the mean plane through all the non-H atoms of the dioxolane ring with those of the rest of the atoms of the chromene ring system, including the substituent F atom, is 81.1 (1)°. The pyran ring has an envelope conformation with the O atom as the flap. The cyclohexene ring has a half-chair conformation, while the dioxolane ring has a twisted conformation on an –O—CH2– bond. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, forming chains along [100]. The chains are linked by C—H...π interactions, involving the fluorobenzene ring, forming layers parallel to theacplane.

scholarly journals (4E)-1-Phenyl-4-[(piperidin-1-yl)methylidene]pyrazolidine-3,5-dione

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Eman A. Ahmed ◽  
Alaa F. Mohamed ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Stacking Interactions ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Phenyl Rings

In the title compound, C15H17N3O2, the dihedral angle between the planes of the pyrazolidine and phenyl rings is 29.91 (6)°. The piperidine ring adopts a chair conformation. In the crystal, molecules are linked into chains running parallel to thea-axis direction by a combination of N—H...O and C—H...O hydrogen bonds. Furthermore, there exist C—H...π interactions and π–π stacking interactions [centroid-to-centroid distance = 3.5274 (10) Å] between the pyrazolidine rings of adjacent molecules.

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