scholarly journals Crystal structure and synthesis of 3-(1H-pyrrol-2-yl)-1-(thiophen-2-yl)propanone

2018 ◽  
Vol 74 (10) ◽  
pp. 1463-1466 ◽  
Author(s):  
Dáire Gibbons ◽  
Ganapathi Emandi ◽  
Mathias O. Senge
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Previous Literature ◽  
Maximum Deviation ◽  
Intermolecular Hydrogen Bonding ◽  
Compound C ◽  
Ketone Carbonyl ◽  
The Mean

The title compound, C11H9NOS, was obtained in an improved yield compared to previous literature methods. The molecule is essentially planar with a maximum deviation of 0.085 Å from the mean plane through all non-H atoms. There is directive intermolecular hydrogen bonding in the form of N—H...O hydrogen bonds with a distance of 2.889 (3) Å between the pyrrole amine and the ketone carbonyl O atom. The resulting hydrogen-bonding network defines a ribbon parallel to the a axis. These ribbons form offset stacks along the b axis.

scholarly journals Crystal structure of 4-allylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine

2014 ◽  
Vol 70 (9) ◽  
pp. o1038-o1038 ◽  
Author(s):  
Mohammed El Fal ◽  
Youssef Ramli ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrimidine Ring ◽  
Ring System ◽  
Maximum Deviation ◽  
Compound C ◽  
The Mean ◽  
Graph Set

In the title compound, C8H8N4S, the pyrazolo[3,4-d]pyrimidine ring system is essentially planar, with a maximum deviation from the mean plane of 0.025 (3) Å. The allyl group is disordered over two sites in a 0.512 (6):0.488 (6) ratio. In the crystal, molecules are linked by pairs of N—H...N hydrogen bonds, forming inversion dimers with anR22(8) graph-set motif.

scholarly journals Crystal structure of (−)-(5R,7R,8S,9R,10S)-8-methyl-7-[(5R)-3-methyl-2-oxooxolan-3-en-5-yl]-1-aza-6-oxatricyclo[8.3.0.05,9]tridecan-13-one monohydrate

2018 ◽  
Vol 74 (4) ◽  
pp. 555-558
Author(s):  
Takeshi Oishi ◽  
Makoto Yoritate ◽  
Takaaki Sato ◽  
Noritaka Chida
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Maximum Deviation ◽  
Water Molecules ◽  
Compound C ◽  
Tricyclic Core ◽  
The Mean

The title compound, C17H23NO4·H2O, is an epimer of the natural tetracyclic alkaloid isosaxorumamide which consists of a fused 5–7–5 tricyclic core and a dihydrofuranone substituent. The terminal dihydrofuran ring is essentially planar with a maximum deviation of 0.0273 (14) Å from the mean plane and oxolane, azepane and pyrrolidine rings in the tricyclic ring system adopt twist, twist-chair and envelope forms, respectively. In the crystal, the amide and water molecules are linked by O—H...O hydrogen bonds, forming a tape structure running along the b-axis direction. The tapes are further connected by C—H...O interactions into a three-dimensional architecture.

scholarly journals Crystal structure of 3-bromoacetyl-6-chloro-2H-1-benzopyran-2-one

2015 ◽  
Vol 71 (8) ◽  
pp. o615-o616
Author(s):  
Ramanaiah Chennuru ◽  
Balaji Maddimsetti ◽  
Suman Gundlapalli ◽  
R. Ravi Chandra Babu ◽  
Sudarshan Mahapatra
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Maximum Deviation ◽  
Compound C ◽  
The Mean

In the title compound, C11H6BrClO3, the benzopyran ring system is essentially planar, with a maximum deviation of 0.036 (2) Å for the O atom. The Cl and Br atoms are displaced by −0.0526 (8) and 0.6698 (3) Å, respectively, from the mean plane of this ring system. In the crystal, two pairs of weak C—H...O hydrogen bonds to the same acceptor O atom link molecules into inversion dimers.

scholarly journals Crystal structure of (E)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazine-1-carbothioamide

2015 ◽  
Vol 71 (1) ◽  
pp. o33-o34 ◽  
Author(s):  
Adriano Bof de Oliveira ◽  
Johannes Beck ◽  
Christian Landvogt ◽  
Bárbara Regina Santos Feitosa ◽  
Fillipe Vieira Rocha
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Maximum Deviation ◽  
Compound C ◽  
The Mean

The title compound, C11H15N3OS, is a thiosemicarbazone derivative of the raspberry ketone rheosmin [systematic name: 4-(4-hydroxyphenyl)butane-2-one]. The molecule deviates from planarity, with the bridging C—C—C=N torsion angle equal to −101.3 (2)°. The maximum deviation from the mean plane of the non-H atoms of the thiosemicarbazone fragment [C=N—N—C(= S)—N] is 0.085 (5) Å for the Schiff base N atom, and the dihedral angle between this mean plane and the aromatic ring is 50.31 (8)°. In the crystal, molecules are linked by N—H...O, N—H...S and O—H...S hydrogen bonds, forming a three-dimensional structure, with the molecules stacked along [011].

scholarly journals Crystal structure of 3-amino-1-(4-methoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile

2015 ◽  
Vol 71 (7) ◽  
pp. o468-o469
Author(s):  
Shaaban K. Mohamed ◽  
Peter N. Horton ◽  
Mehmet Akkurt ◽  
Sabry H. H. Younes ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Ring System ◽  
Maximum Deviation ◽  
Naphthalene Ring ◽  
Pyran Ring ◽  
Compound C ◽  
The Mean

In the title compound, C21H16N2O2, the methoxybenzene ring is almost perpendicular to the mean plane of the naphthalene ring system, making a dihedral angle of 83.62 (5)°. The 4H-pyran ring fused with the naphthalene ring system is almost planar [maximum deviation = 0.033 (1) Å]. In the crystal, molecules are linked into inversion dimers by pairs of N—H...N hydrogen bonds. N—H...O hydrogen bonds connect the dimers, forming a helical supramolecular chain along thea-axis direction. The crystal packing also features C—H...π interactions.

scholarly journals Crystal structure ofN-[(morpholin-4-yl)(thiophen-2-yl)methyl]benzamide

2015 ◽  
Vol 71 (7) ◽  
pp. o498-o499 ◽  
Author(s):  
S. Arun Prabhu ◽  
M. Suresh ◽  
A. Abdul Jameel ◽  
M. Syed Ali Padusha ◽  
B. Gunasekaran
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Thiophene Ring ◽  
Chair Conformation ◽  
Maximum Deviation ◽  
Minor Components ◽  
Compound C ◽  
The Mean ◽  
Morpholine Ring

In the title compound, C16H18N2O2S, the morpholine ring adopts a chair conformation. The thiophene ring makes a dihedral angle of 63.54 (14)° with the mean plane of the four C atoms [maximum deviation = 0.010 (3) Å] of the morpholine ring. The benzamide ring is disordered, with four C atoms occupying two sets of sites, with a refined occupancy ratio of 0.502 (4):0.498 (4). These two rings are inclined to one another by 85.2 (4)° and to the thiophene ring by 72.7 (3) and 13.0 (3)° for the major and minor components, respectively. In the crystal, molecules are linkedviaN—H...O hydrogen bonds, forming chains along [001].

scholarly journals Crystal structure of (E)-2-[1-(benzo[d][1,3]dioxol-5-yl)ethylidene]-N-methylhydrazine-1-carbothioamide

2015 ◽  
Vol 71 (1) ◽  
pp. o35-o36 ◽  
Author(s):  
Adriano Bof de Oliveira ◽  
Christian Näther ◽  
Inke Jess ◽  
Renan Lira de Farias ◽  
Iasmin Alves Ribeiro
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Maximum Deviation ◽  
Methyl Groups ◽  
Compound C ◽  
The Mean

In the title compound, C11H13N3O2S, there is a short intramolecular N—H...N contact. The benzo[d][1,3]dioxole ring system is approximately planar (r.m.s. deviation = 0.025 Å) and makes a dihedral angle of 56.83 (6)° with the mean plane of the methylthiosemicarbazone fragment [–N—N—C(=S)—N—C; maximum deviation = 0.1111 (14) Å for the imino N atom]. In the crystal, molecules are linkedviapairs of N—H...S hydrogen bonds, forming inversion dimers. The dimers are connected by N—H...S hydrogen bonds into layers parallel to (100). The H atoms of both methyl groups are disordered over two sets of sites and were refined with occupancy ratios of 0.5:0.5 and 0.75:0.25.

scholarly journals 4,7,8-Trimethyl-2H-chromen-2-one

2012 ◽  
Vol 68 (4) ◽  
pp. o1014-o1014
Author(s):  
Jian-Xin Yang ◽  
Xue-Mei Tan ◽  
Xiang-Hui Wang ◽  
Yin Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Maximum Deviation ◽  
Axis Direction ◽  
Compound C ◽  
Π Stacking ◽  
The Mean

The molecule of the title compound, C12H12O2, is essentially planar, with a maximum deviation from the mean plane of all non-H atoms of 0.038 (1) Å for the methyl C atom in the 8-position. The crystal structure is characterized by antiparallel π–π stacking along thecaxis, with centroid–centroid distances as short as 3.866 (1) Å. In the crystal, C—H...O hydrogen bonds connect the molecules across the stacks into ribbons in thea-axis direction.

scholarly journals (5,7-Dimethyl-2-oxo-2H-chromen-4-yl)methyl diethyldithiocarbamate

2012 ◽  
Vol 68 (6) ◽  
pp. o1657-o1657 ◽  
Author(s):  
K. Mahesh Kumar ◽  
H. C. Devarajegowda ◽  
S Jeyaseelan ◽  
N. M. Mahabaleshwaraiah ◽  
O. Kotresh
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Maximum Deviation ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean ◽  
Coumarin Ring

In the title compound, C17H21NO2S2, the coumarin ring system is nearly planar, with a maximum deviation of 0.080 (2) Å from the mean plane. An intramolecular C—H...S hydrogen bond occurs. The crystal structure features C—H...S hydrogen bonds and weak π–π interactions with a centroid–centroid distance of 3.679 (1) Å.

scholarly journals Crystal structure of (2S,4R)-ethyl 4-nitromethyl-1-[(S)-1-phenylethyl]-6-sulfanylidenepiperidine-2-carboxylate

2015 ◽  
Vol 71 (1) ◽  
pp. o41-o42
Author(s):  
Araceli Zárate ◽  
David Aparicio ◽  
Angel Palillero ◽  
Angel Mendoza
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Carboxy Group ◽  
Title Compound ◽  
Phenyl Ring ◽  
Piperidine Ring ◽  
Maximum Deviation ◽  
Compound C ◽  
The Mean

In the title compound, C17H22N2O4S, a thiopiperidine derivative, the piperidine ring has an envelope conformation with the methylene C atom opposite to the C=S bond as the flap. The nitromethyl substituent is equatorial while the ethoxycarbonyl group is axial. The mean planes of the nitromethyl group, the carboxy group and phenyl ring are inclined to the mean plane through the five planar atoms of the piperidine ring [maximum deviation = 0.070 (4) Å] by 56.8 (2), 83.8 (5) and 87.1 (2)°, respectively. There is an intramolecular C—H...O hydrogen bond involving an H atom of the ethoxycarbonyl group and a nitro O atom. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming chains along [100]. The chains are linked by further C—H...O hydrogen bonds, forming corrugated layers lying parallel to (001).

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