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 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 2,5-dimethyl-3-(3-methylphenylsulfonyl)-1-benzofuran

2014 ◽  
Vol 70 (9) ◽  
pp. o1073-o1074 ◽  
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Methyl Groups ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
A Chain

In the title compound, C17H16O3S, the dihedral angle between the plane of the benzofuran ring system [r.m.s. deviation = 0.010 (1) Å] and that of the 3-methylphenyl ring is 79.09 (5)°. Intramolecular C—H...O hydrogen bonds are observed. In the crystal, molecules are connected into a chain along thec-axis direction by two different pairs of inversion-generated interactions: C—H...π hydrogen bonds between the methyl groups and the benzene rings of the 3-methylphenyl fragments and π–π interactions between the benzene and furan rings of neighbouring molecules [centroid–centroid distance = 3.673 (2) Å].

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

2015 ◽  
Vol 71 (8) ◽  
pp. o536-o537
Author(s):  
Mehmet Akkurt ◽  
Peter N. Horton ◽  
Sabry H. H. Younes ◽  
Shaaban K. Mohamed ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Boat Conformation ◽  
Naphthalene Ring ◽  
Pyran Ring ◽  
Compound C ◽  
The Mean

In the title compound, C20H14N2O2, the hydroxybenzene ring is almost perpendicular to the mean plane of the naphthalene ring system, making a dihedral angle of 85.56 (4)°. The 4H-pyran ring fused with the naphthalene ring system has a flattened boat conformation. In the crystal, O—H...N and N—H...O hydrogen bonds link the molecules into a supramolecular layer in thebcplane; N—H...π interactions also contribute to this arrangement. The layers are linked by weak by C—H...π and π–π [inter-centroid separation = 3.8713 (7) Å] interactions.

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 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 1-[(4-Methoxyphenyl)sulfonyl]-1H-indole-3-carbaldehyde

IUCrData ◽  
2016 ◽  
Vol 1 (1) ◽  
Author(s):  
E. A. Jithesh Babu ◽  
K. S. Vinay Kumar ◽  
Chandra ◽  
M. P. Sadashiva ◽  
M. Mahendra
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Indole Ring ◽  
Sulfonyl Group ◽  
Compound C ◽  
The Mean

In the molecule of the title compound, C16H13NO4S, the mean plane of the indole ring system and that of the methoxyphenyl ring, which are bridged by a sulfonyl group, are inclined at a dihedral angle of 88.98 (9)°. The crystal structure is stabilized by intermolecular C—H...O hydrogen bonds.

scholarly journals Crystal structure of (2E)-1-(4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one

2015 ◽  
Vol 71 (4) ◽  
pp. 424-426
Author(s):  
Peter Mangwala Kimpende ◽  
Ngoc Thanh Nguyen ◽  
Minh Thao Nguyen ◽  
Quoc Trung Vu ◽  
Luc Van Meervelt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Compound C ◽  
Planar Conformation ◽  
The Mean

In the title compound, C20H17NO5, the dihedral angle between the mean plane of the dihydroquinoline ring system (r.m.s. deviation = 0.003 Å) and the benzene ring is 1.83 (11)°. The almost planar conformation is a consequence of an intramolecular O—H...O hydrogen bond and theEconfiguration about the central C=C bond. In the crystal structure, O—H...O hydrogen bonds generate chains of molecules along the [10-1] direction. These chains are linkedviaπ–π interactions [inter-centroid distances are in the range 3.6410 (16)–3.8663 (17) Å].

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 Propyl 2-(1H-indol-3-yl)acetate

2013 ◽  
Vol 69 (11) ◽  
pp. o1686-o1686
Author(s):  
Guo-Min Tang ◽  
Wei Xu
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Acetate Group ◽  
Maximum Deviation ◽  
Indole Ring ◽  
Compound C ◽  
The Mean

In the title compound, C13H15NO2, the acetate group [C—C(=O)—O] makes a dihedral angle of 62.35 (13)° with the mean plane of the indole ring system [maximum deviation = 0.011 (3) Å]. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming helical chains propagating along [010].

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