scholarly journals Crystal structure and Hirshfeld surface analysis of the hydrochloride salt of 8-{4-[(6-phenylpyridin-3-yl)methyl]piperazin-1-yl}-3,4-dihydroquinolin-2(1H)-one

2021 ◽  
Vol 77 (2) ◽  
pp. 208-212
Author(s):  
Nisar Ullah ◽  
Helen Stoeckli-Evans
Keyword(s):  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Pyridine Ring ◽  
Organic Cation ◽  
Chair Conformation ◽  
Chloride Anion ◽  
Hirshfeld Surface ◽  
Piperidine Ring ◽  
Boat Conformation ◽  
Hydrochloride Salt

The amine 8-{4-[(6-phenylpyridin-3-yl)methyl]piperazin-1-yl}-3,4-dihydroquinolin-2(1H)-one was crystallized as the hydrochloride salt, 4-(2-oxo-1,2,3,4-tetrahydroquinolin-8-yl)-1-[(6-phenylpyridin-3-yl)methyl]piperazin-1-ium chloride, C25H27N4 +·Cl− (I·HCl). The conformation of the organic cation is half-moon in shape enclosing the chloride anion. The piperidine ring of the 3,4-dihydroquinolin-2(1H)-one moiety has a screw-boat conformation, while the piperazine ring has a chair conformation. In the biaryl group, the pyridine ring is inclined to the phenyl ring by 40.17 (7) and by 36.86 (8)° to the aromatic ring of the quinoline moiety. In the crystal, the cations are linked by pairwise N—H...O hydrogen bonds, forming inversion dimers enclosing an R 2 2(8) ring motif. The Cl− anion is linked to the cation by an N—H...Cl hydrogen bond. These units are linked by a series of C—H...O, C—H...N and C—H...Cl hydrogen bonds, forming layers lying parallel to the ab plane.

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 The crystal structures and Hirshfeld surface analysis of 6-(naphthalen-1-yl)-6a-nitro-6,6a,6b,7,9,11a-hexahydrospiro[chromeno[3′,4′:3,4]pyrrolo[1,2-c]thiazole-11,11′-indeno[1,2-b]quinoxaline] and 6′-(naphthalen-1-yl)-6a′-nitro-6′,6a′,6b′,7′,8′,9′,10′,12a′-octahydro-2H-spiro[acenaphthylene-1,12′-chromeno[3,4-a]indolizin]-2-one

2019 ◽  
Vol 75 (10) ◽  
pp. 1519-1524
Author(s):  
G. Foize Ahmad ◽  
A. Syed Mohammed Mujaheer ◽  
M. NizamMohideen ◽  
M. Gulam Mohamed ◽  
V. Viswanathan
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Thiazole Ring ◽  
Boat Conformation ◽  
Pyran Ring ◽  
Axis Direction ◽  
Π Interactions ◽  
Spiro Derivatives

The title compounds, 6-(naphthalen-1-yl)-6a-nitro-6,6a,6 b,7,9,11a-hexahydrospiro[chromeno[3′,4′:3,4]pyrrolo[1,2-c]thiazole-11,11′-indeno[1,2-b]quinoxaline], C37H26N4O3S, (I), and 6′-(naphthalen-1-yl)-6a′-nitro-6′,6a′,6b′,7′,8′,9′,10′,12a′-octahydro-2H-spiro[acenaphthylene-1,12′-chromeno[3,4-a]indolizin]-2-one, C36H28N2O4, (II), are new spiro derivatives, in which both the pyrrolidine rings adopt twisted conformations. In (I), the five-membered thiazole ring adopts an envelope conformation, while the eight-membered pyrrolidine-thiazole ring adopts a boat conformation. An intramolecular C—H...N hydrogen bond occurs, involving a C atom of the pyran ring and an N atom of the pyrazine ring. In (II), the six-membered piperidine ring adopts a chair conformation. An intramolecular C—H...O hydrogen bond occurs, involving a C atom of the pyrrolidine ring and the keto O atom. For both compounds, the crystal structure is stabilized by intermolecular C—H...O hydrogen bonds. In (I), the C—H...O hydrogen bonds link adjacent molecules, forming R 2 2(16) loops propagating along the b-axis direction, while in (II) they form zigzag chains along the b-axis direction. In both compounds, C—H...π interactions help to consolidate the structure, but no significant π–π interactions with centroid–centroid distances of less than 4 Å are observed.

scholarly journals The crystal structure and Hirshfeld surface analysis of 1-(2,5-dimethoxyphenyl)-2,2,6,6-tetramethylpiperidine

2020 ◽  
Vol 76 (6) ◽  
pp. 794-797
Author(s):  
Mustapha Tiouabi ◽  
Raphaël Tabacchi ◽  
Helen Stoeckli-Evans
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Surface Analysis ◽  
Title Compound ◽  
Chair Conformation ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Piperidine Ring ◽  
Compound C

In the title compound, C17H27NO2, the piperidine ring has a chair conformation and is positioned normal to the benzene ring. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming chains propagating along the c-axis direction.

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 Crystal structure ofN,N′-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diammonium dichloride

2016 ◽  
Vol 72 (12) ◽  
pp. 1728-1730
Author(s):  
Suk-Hee Moon ◽  
Hansu Im ◽  
Tae Ho Kim ◽  
Ki-Min Park
Keyword(s):  
Hydrogen Bonds ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Chloride Anion ◽  
Supramolecular Network ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
The Mean

The title salt, C18H26N42+·2Cl−, was obtained by the protonation ofN,N-bis(pyridin-4-ylmethyl)cyclohexane-1,4-diamine with hydrochloric acid in ethanol. The asymmetric unit consists of one half of anN,N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diammonium dication, with a crystallographic inversion centre located at the centre of the cyclohexyl ring, and a chloride anion. The central cyclohexyl ring in the dication adopts a chair conformation. The twotrans-(4-pyridine)–CH2–NH2– moieties at the 1- and 4-positions of the central cyclohexyl ring occupy equatorial sites. The terminal pyridine ring is tilted by 53.72 (6)° with respect to the mean plane of the central cyclohexyl ring (r.m.s. deviation = 0.2413 Å). In the crystal, N+—H...Cl−hydrogen bonds between the dications and the chloride anions, and π–π stacking interactions between the pyridine rings of the dications afford a two-dimensional sheet extending parallel to theabplane. These sheets are further connected through weak C—H...Cl−hydrogen bonds, resulting in the formation of a three-dimensional supramolecular network.

scholarly journals 2-Amino-6-(piperidin-1-yl)-4-p-tolylpyridine-3,5-dicarbonitrile

2013 ◽  
Vol 69 (12) ◽  
pp. o1807-o1807
Author(s):  
S. Antony Inglebert ◽  
Jayabal Kamalraja ◽  
K. Sethusankar ◽  
Gnanasambandam Vasuki
Keyword(s):  
Hydrogen Bonds ◽  
Pyridine Ring ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Two Dimensional ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean

In the title compound, C19H19N5, the piperidine ring adopts a chair conformation. The pyridine ring is essentially planar, with a maximum deviation of 0.039 (2) Å for a C atom substituted with a carbonitrile group. The mean plane of the central pyridine ring makes the dihedral angles of 37.90 (14) and 56.10 (12)° with the piperidine and benzene rings, respectively. In the crystal, molecules are linkedviaN—H...N and C—H...N hydrogen bonds, forming chains along [101], and enclosingR22(17) ring motifs. The chains are linked by further C—H...N hydrogen bonds, forming two-dimensional networks lying parallel to (10-1), and enclosing inversion dimers withR22(20) ring motifs.

scholarly journals (2,4-Dichlorophenyl)(3-hydroxypiperidin-1-yl)methanone: crystal structure and Hirshfeld analysis

IUCrData ◽  
2017 ◽  
Vol 2 (6) ◽  
Author(s):  
U. Mohamooda Sumaya ◽  
D. Reuben Jonathan ◽  
Dravida Thendral Era ◽  
S. Gomathi ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Chair Conformation ◽  
Hirshfeld Surface ◽  
Piperidine Ring ◽  
Compound C ◽  
Hirshfeld Analysis ◽  
The Mean

In the title compound, C12H13Cl2NO2, the piperidine ring adopts a chair conformation. The dihedral angle between the mean plane of the piperidine ring and the benzene ring is 58.5 (3)°. In the crystal, molecules are linked by O—H...O hydrogen bonds, forming chains propagating along theb-axis direction. The chains are linked by C—H...O hydrogen bonds, forming undulating sheets parallel to theabplane. The C atoms of the hydroxypiperidine ring are disordered over two sets of sites with refined occupancies of 0.545 (7) and 0.455 (7). The intermolecular interactions in the crystal structure were quantified using Hirshfeld surface analysis.

14-Acetyl-20-ethyl-1,8-dihydroxy-16,18-dimethoxylycoctonine

2006 ◽  
Vol 62 (4) ◽  
pp. o1428-o1430 ◽  
Author(s):  
Manzoor Ahmad ◽  
Shamsher Ali ◽  
Farzana Shaheen ◽  
Shazia Anjum ◽  
M. Iqbal Choudhary
Keyword(s):  
Hydrogen Bonds ◽  
Chair Conformation ◽  
The Other ◽  
Piperidine Ring ◽  
Boat Conformation ◽  
Compound C ◽  
Twist Conformation ◽  
Cyclopentane Ring ◽  
Fused Ring ◽  
Twist Boat

The title compound (C25H39NO6), a polycyclic diterpenoid alkaloid, has been isolated from Delphinium roylei Munz. Two cis-fused ring junctions are observed between cyclohexane A and piperidine E rings and between cyclohexane B and cyclopentane C rings. Two trans-fused ring junctions involve cyclohexane A and cyclopentane B rings and also piperidine E and cyclopentane F rings. Cyclopentane ring F is in a twist conformation, while the other cyclopentane ring, C, forms an envelope conformation. Piperidine ring E is in a chair conformation, the two cyclohexane rings A and B adopt twist–boat conformations and cyclohexane ring D is in a screw-boat conformation. Of the five substituents, only one is α-oriented. The molecules are packed along the c axis in layers parallel to the ab plane and stabilized by weak inter- and intramolecular O—H...O and O—H...N hydrogen bonds.

scholarly journals 7′-Amino-1′H-spiro[cycloheptane-1,2′-pyrimido[4,5-d]pyrimidin]-4′(3′H)-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2546-o2546
Author(s):  
Shu Chen ◽  
Daxin Shi ◽  
Mingxing Liu ◽  
Jiarong Li
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Boat Conformation ◽  
Compound C ◽  
Dimensional Network

The title compound, C12H17N5O, was obtained by cyclocondensation of 2,4-diaminopyrimidine-5-carbonitrile with cycloheptanone. The tetrahydropyrimidine ring has a distorted boat conformation and the cycloheptane ring adopts a chair conformation. In the crystal, molecules are linkedviaN—H...O and N—H...N hydrogen bonds generating a three-dimensional network.

scholarly journals Crystal structure of 2-hydroxy-2-phenylacetophenone oxime

2021 ◽  
Vol 77 (1) ◽  
pp. 66-69
Author(s):  
Nurcan Akduran
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Hirshfeld Surface ◽  
Oxime Group ◽  
Phenyl Rings ◽  
Ring Interaction ◽  
Van Der Waals Contacts

The title compound [systematic name: 2-(N-hydroxyimino)-1,2-diphenylethanol], C14H13NO2, consists of hydroxy phenylacetophenone and oxime units, in which the phenyl rings are oriented at a dihedral angle of 80.54 (7)°. In the crystal, intermolecular O—HOxm...NOxm, O—HHydr...OHydr, O—H′Hydr...OHydr and O—HOxm...OHydr hydrogen bonds link the molecules into infinite chains along the c-axis direction. π–π contacts between inversion-related of the phenyl ring adjacent to the oxime group have a centroid–centroid separation of 3.904 (3) Å and a weak C—H...π(ring) interaction is also observed. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H...H (58.4%) and H...C/C...H (26.4%) contacts. Hydrogen bonding and van der Waals contacts are the dominant interactions in the crystal packing.

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