scholarly journals 1-(3,5-Dinitrobenzoyl)-4-(2-methoxyphenyl)piperazine

IUCrData ◽  
2020 ◽  
Vol 5 (11) ◽  
Author(s):  
Chayanna Harish Chinthal ◽  
Channappa N. Kavitha ◽  
Hemmige S. Yathirajan ◽  
Sabine Foro ◽  
Christopher Glidewell
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Stacking Interactions ◽  
Piperazine Ring ◽  
Compound C

In the title compound, C18H18N4O6, the piperazine ring adopts a chair conformation, the amidic N atom is planar (sum of angles = 360°) and the non-amidic N atom is pyramidal (343°). There are no hydrogen bonds of any kind in the crystal, but the molecules are linked by two independent π(nitrobenzene)...π(methoxybenzene) stacking interactions to form π-stacked sheets with inter-centroid separations of 3.8444 (12) and 3.9197 (12) Å.

scholarly journals N-(1H-Indol-3-ylmethylidene)-4-methylpiperazin-1-amine

2013 ◽  
Vol 69 (11) ◽  
pp. o1706-o1706 ◽  
Author(s):  
Channappa N. Kavitha ◽  
Jerry P. Jasinski ◽  
Brian J. Anderson ◽  
H. S. Yathirajan ◽  
Manpreet Kaur
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Indole Ring ◽  
Piperazine Ring ◽  
Compound C

In the title compound, C14H18N4, the piperazine ring is in a slightly distorted chair conformation. The indole ring system is twisted from the piperazine ring, making a dihedral angle of 7.27 (11)°. In the crystal, N—H...N hydrogen bonds link molecules into chains along [10-1].

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 7-[(5,5-Dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)oxy]-4-methyl-2H-chromen-2-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1924-o1924
Author(s):  
Yan-Ru Zhao ◽  
Xu-Feng Hou ◽  
Zhi-Hong Xu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking

The title compound, C15H17O6P, was obtained from a reaction of 4-methyl-7-hydroxycoumarin and 2-chloro-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide. There are two molecules in the asymmetric unit in which the benzopyran ring system is almost planar [r.m.s. deviation for each molecule = 0.003 Å]. In the crystal, C—H...O hydrogen bonds and π–π stacking interactions [with centroid–centroid distances of 3.743 (3) and 3.727 (3) Å] link the two molecules. The dioxaphosphorinane ring adopts a chair conformation in both asymmetric molecules.

scholarly journals Crystal structure of (7-fluoro-2-oxo-2H-chromen-4-yl)methyl morpholine-4-carbodithioate

2015 ◽  
Vol 71 (12) ◽  
pp. o928-o929
Author(s):  
B. R. Anitha ◽  
A. Thomas Gunaseelan ◽  
M. Vinduvahini ◽  
H. D. Kavitha ◽  
H. C. Devarajegowda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Stacking Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Morpholine Ring ◽  
Chromene Ring

In the title compound, C15H14FNO3S2, the 2H-chromene ring system is close to being planar (r.m.s. deviation = 0.024 Å) and the morpholine ring adopts a chair conformation. The dihedral angle between the 2H-chromene ring system and the morpholine ring (all atoms) is 88.21 (11)°. In the crystal, inversion dimers linked by pairs of very weak C—H...F hydrogen bonds generateR22(8) loops; C—H...O hydrogen bonds connect the dimers into [010] chains. Weak aromatic π–π stacking interactions between the pyran rings of the chromene systems [centroid–centroid distance = 3.6940 (16) Å] are also observed.

scholarly journals Crystal structure of dibromomethoxyseselin (DBMS), a photobiologically active pyranocoumarin

2017 ◽  
Vol 73 (5) ◽  
pp. 774-776 ◽  
Author(s):  
A. K. Bauri ◽  
Sabine Foro ◽  
A. F. M. M. Rahman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Maximum Deviation ◽  
Stacking Interactions ◽  
Ring Form ◽  
Compound C ◽  
Naturally Occurring

The title compound, C15H14Br2O4[systematic name:rac-(9S,10R)-3,9-dibromo-10-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2(8H)-one], is a pyranocoumarin derivative formed by the bromination of seselin, which is a naturally occurring angular pyranocoumarin isolated from the Indian herbTrachyspermum stictocarpum. In the molecule, the benzopyran ring system is essentially planar, with a maximum deviation of 0.044 (2) Å for the O atom. The dihydropyran ring is in a half-chair conformation and the four essentially planar atoms of this ring form a dihedral angle of 4.6 (2)° with the benzopyran ring system. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming chains propagating along [010]. In addition, π–π stacking interactions, with centroid–centroid distances of 3.902 (2) and 3.908 (2) Å, link the hydrogen-bonded chains into layers parallel to (001).

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.

scholarly journals 2-[2-(4-Methylpiperazin-1-yl)ethyl]isoindoline-1,3-dione

2014 ◽  
Vol 70 (3) ◽  
pp. o287-o287
Author(s):  
Mi Zhou ◽  
Ying Shao ◽  
Yong-an Xia ◽  
Xiao-Long Liu ◽  
Xiao-Qiang Sun
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Ring System ◽  
Piperazine Ring ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound, C15H19N3O2, the piperazine ring adopts a chair conformation, with its N—C bonds in pseudo-equatorial orientations. The dihedral angle between the C atoms of the piperazine ring and the phthalamide ring system (r.m.s. deviaiton = 0.008 Å) is 89.30 (8)°. In the crystal, molecules are linked by C—H...O hydrogen bonds, generating a three-dimensional network and aromatic π–π interactions also occur [centroid–centroid distances = 3.556 (1)–3.716 (1) Å].

scholarly journals Crystal structure of 3-[4-(pyrimidin-2-yl)piperazin-1-ium-1-yl]butanoate

2014 ◽  
Vol 70 (9) ◽  
pp. o1063-o1064 ◽  
Author(s):  
Thammarse S. Yamuna ◽  
Jerry P. Jasinski ◽  
Manpreet Kaur ◽  
Brian J. Anderson ◽  
H.S. Yathirajan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Carboxylate Group ◽  
Piperazine Ring ◽  
Zwitterionic Form ◽  
Compound C ◽  
Dimensional Network

The title compound, C12H18N4O2, crystallizes in the zwitterionic form with protonation at the N atom of the piperazine ring bearing the carboxylate group. The piperazine ring adopts a slightly distorted chair conformation. In the crystal, N—H...O hydrogen bonds are observed, forming chains along [010]. The packing is consolidated by C—H...O interactions, which generate a three-dimensional network.

scholarly journals 3-Methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
V. M. Sunitha ◽  
N. Manju ◽  
S. Naveen ◽  
B. Kalluraya ◽  
N. K. Lokanath ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Piperazine Ring ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C16H20N4O, the dihedral angle between the pyrazole and phenyl rings is 53.86 (12)°. The piperazine ring adopts a chair conformation with the exocyclic N—C bonds in equatorial orientations. In the crystal, molecules are linked by very weak C—H...O hydrogen bonds to generate [010]C(8) chains, with adjacent molecules related by translation.

scholarly journals 2,2′-(Piperazine-1,4-diyl)diacetonitrile

2012 ◽  
Vol 68 (6) ◽  
pp. o1798-o1798
Author(s):  
Wei Gao ◽  
Jing Yang ◽  
Xin-Ling Wang ◽  
Ning Zhou ◽  
Xue-Fen Wu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Piperazine Ring ◽  
Compound C

The complete molecule of the title compound, C8H12N4, is generated by a crystallographic inversion centre. The piperazine ring adopts a chair conformation with the N-bonded substituents in equatorial positions. In the crystal, molecules are linked by C—H...Nc (c = cyanide) hydrogen bonds.

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