scholarly journals 2-(4-Fluoro-2-nitrophenyl)-4-hydroxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde

2014 ◽  
Vol 70 (3) ◽  
pp. o273-o274 ◽  
Author(s):  
S. Gopinath ◽  
K. Sethusankar ◽  
Velu Saravanan ◽  
Arasambattu K. Mohanakrishnan
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Graph Set

In the title compound, C25H15FN2O6S, the carbazole ring system is essentially planar, with a maximum deviation of 0.1534 (16) Å for the C atom connected to the 4-fluoro-2-nitrophenyl ring. It is almost orthogonal to the phenylsulfonyl and nitrophenyl rings, making dihedral angles of 88.45 (8) and 79.26 (7)°, respectively. The molecular structure is stabilized by O—H...O and C—H...O hydrogen bonds, which generate threeS(6) ring motifs. In the crystal, molecules are linked by two C—H...O hydrogen bonds, which generateC(6) andC(9) chains running in the [100] and [010] directions, respectively, so forming a two-dimensional network lying parallel to (001). There are also supramolecularR43(28) graph-set ring motifs enclosed within these networks.

scholarly journals 3-Benzyl-7-(2,4-dichlorophenyl)-4H-1,3,4-thiadiazolo[2,3-c][1,2,4]triazin-4-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1736-o1737
Author(s):  
Hoong-Kun Fun ◽  
Suhana Arshad ◽  
B. K. Sarojini ◽  
U. A. Imran ◽  
B.G. Krishna
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Triazine Ring ◽  
Compound C ◽  
Graph Set

In the title compound, C17H10Cl2N4OS, the phenyl ring and the H atoms attached to the adjacent C atom are disordered over two positions, with refined site occupancies of 0.509 (8) and 0.491 (8). The planar 4H-1,3,4-thiadiazolo[2,3-c][1,2,4]triazine ring system [maximum deviation = 0.048 (3) Å] forms dihedral angles of 76.9 (5), 74.9 (5) and 9.88 (12)°, respectively, with the major and minor parts of the disordered phenyl ring and with the dichloro-substituted benzene ring. In the crystal, pairs of C—H...O hydrogen bonds link the molecules, forming inversion dimers with an R 2 2(18) graph-set motif. A short S...N contact of 2.801 (3) Å is observed between the dimers.

scholarly journals 1,4-Dihydroxy-2,3-dinitro-9,10-anthraquinone

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
Wataru Furukawa ◽  
Munenori Takehara ◽  
Yoshinori Inoue ◽  
Chitoshi Kitamura
Keyword(s):  
Hydrogen Bonds ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Compound C ◽  
Dimensional Network

In the title compound, C14H6N2O8, the anthraquinone unit is essentially planar [maximum deviation = 0.0645 (10) Å], and there are two intramolecular O–H...O hydrogen bonds formingS(6) motifs. The planes of the two nitro substituents make dihedral angles of 54.77 (8) and 55.60 (3)° with the anthraquinone ring system. In the crystal, molecules are linked by short intermolecular O...O contacts, leading to a three-dimensional network structure.

scholarly journals 1-[6-Chloro-2-(phenanthren-9-yl)quinolin-4-yl]pyrrolidin-2-one

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Rajamani Raja ◽  
Subramani Kandhasamy ◽  
Uma Maheswari Narayanan ◽  
Paramasivam T. Perumal ◽  
Ramu Dhanapal
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Two Dimensional ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

In the title compound, C27H19ClN2O, the quinoline system is planar, with a maximum deviation from the mean plane of 0.003 Å for the N atom. This ring makes dihedral angles of 56.64 (5) and 49.26 (2)° with phenanthrene and pyrrolidine rings, respectively. The pyrrolidine ring adopts a twisted conformation. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, forming a two-dimensional network lying parallel to (010).

scholarly journals Crystal structure of 2-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide

2014 ◽  
Vol 70 (12) ◽  
pp. o1252-o1252 ◽  
Author(s):  
Rodolfo Moreno-Fuquen ◽  
Diego F. Sánchez ◽  
Javier Ellena
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings ◽  
The Mean ◽  
Amide Fragment

In the title compound, C10H6N4O5S, the mean plane of the non-H atoms of the central amide fragment C—N—C(=O)—C [r.m.s. deviation = 0.0294 Å] forms dihedral angles of 12.48 (7) and 46.66 (9)° with the planes of the thiazole and benzene rings, respectively. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along [001]. In addition, weak C—H...O hydrogen bonds link these chains, forming a two-dimensional network, containingR44(28) ring motifs parallel to (100).

scholarly journals 6-Amino-3-methyl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

2014 ◽  
Vol 70 (8) ◽  
pp. o875-o876 ◽  
Author(s):  
Naresh Sharma ◽  
Goutam Brahmachari ◽  
Bubun Banerjee ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Ring System ◽  
Boat Conformation ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C17H18N4O4, the dihedral angle between the benzene ring and 2,4-dihydropyrano[2,3-c]pyrazole ring system is 89.41 (7)°. The pyran moiety adopts a strongly flattened boat conformation. In the crystal, molecules are linked by N—H...N, N—H...O, C—H...N and C—H...O hydrogen bonds into an infinite two-dimensional network parallel to (110). There are π–π interactions between the pyrazole rings in neighbouring layers [centroid–centroid distance = 3.621 (1) Å].

scholarly journals 2-(4,5-Dimethoxy-2-nitrophenyl)-4-methoxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde

2014 ◽  
Vol 70 (4) ◽  
pp. o424-o425 ◽  
Author(s):  
P. Narayanan ◽  
K. Sethusankar ◽  
Velu Saravanan ◽  
Arasambattu K. Mohanakrishnan
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Ring System ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Compound C ◽  
Ring Motif

In the title compound, C28H22N2O8S, the carbazole ring system is roughly planar, with a maximum deviation of 0.084 (3) Å for the C atom connected to the 4,5-dimethoxy-2-nitrophenyl ring. The dihedral angle between the carbazole system and the dimethoxy-substituted nitrophenyl ring is 57.05 (10)°. The aldehyde C atom deviates by 0.164 (5) Å from its attached carbazole ring system. The molecular structure is stabilized by C—H...O interactions which generate twoS(6) and oneS(7) ring motif. In the crystal, molecules are linked by C—H...O hydrogen bonds, formingR33(15) ring motifs, which are further crosslinked byR32(19) ring motifs, resulting in (002) layers. The crystal packing also features C—H...π interactions.

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 Methyl 3′-benzyl-4′-(2,4-dichlorophenyl)-1′-methyl-2-oxospiro[indoline-3,2′-pyrrolidine]-3′-carboxylate

2014 ◽  
Vol 70 (3) ◽  
pp. o335-o335 ◽  
Author(s):  
S. Karthikeyan ◽  
P. Narayanan ◽  
K. Sethusankar ◽  
Anthonisamy Devaraj ◽  
Manickam Bakthadoss
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Maximum Deviation ◽  
Indole Ring ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean

In the title compound, C27H24Cl2N2O3, the indole ring system is essentially planar, with a maximum deviation of 0.082 (2) Å for the carbonyl C atom. It makes a dihedral angle of 88.53 (6)° with the mean plane of the 4-methylpyrrolidine ring, which adopts an envelope conformation with the N atom at the flap position. The molecular structure is stabilized by intramolecular C—H...O hydrogen bonds, which generateS(6) andS(7) ring motifs, and an intramolecular π–π interaction involving the benzyl and dichloro-substituted benzene rings [centroid–centroid distance = 3.6291 (11) Å]. In the crystal, molecules are linkedviaN—H...O hydrogen bonds, formingC(7) chains running parallel to [10-1].

scholarly journals Ethyl 2-(4-chlorophenyl)-1-phenyl-1H-benzimidazole-5-carboxylate

2012 ◽  
Vol 68 (6) ◽  
pp. o1863-o1863 ◽  
Author(s):  
Yeong Keng Yoon ◽  
Elumalai Manogaran ◽  
Tan Soo Choon ◽  
Suhana Arshad ◽  
Ibrahim Abdul Razak
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Zigzag Chain ◽  
Benzimidazole Ring ◽  
Compound C ◽  
Benzene Rings

In the title compound, C22H17ClN2O2, the essentially planar benzimidazole ring system [maximum deviation = 0.012 (2) Å] forms dihedral angles of 28.69 (6) and 63.65 (7)°, respectively, with the phenyl and chloro-substituted benzene rings. The dihedral angle between the phenyl and benzene rings is 64.23 (8)°. In the crystal, molecules are linked into a zigzag chain along the a axis by intermolecular C—H...O hydrogen bonds. C—H...π interactions are also present.

scholarly journals 3-Methoxy-2-[5-(naphthalen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol

2014 ◽  
Vol 70 (4) ◽  
pp. o464-o464 ◽  
Author(s):  
Dongsoo Koh ◽  
Yoongho Lim ◽  
Alan J. Lough
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Naphthalene Ring ◽  
Compound C ◽  
Graph Set ◽  
Independent Molecules

The asymmetric unit of the title compound, C20H18N2O2, contains two independent molecules in which the dihedral angles between the naphthalene ring system [r.m.s. deviations = 0.012 (1) and 0.015 (1) Å] and the benzene ring are 71.65 (6) and 74.51 (6)°. In the crystal, pairs of N—H...O hydrogen bonds form two independent inversion dimers with graph-set notationR22(14). In addition, each molecule contains an intramolecular O—H...N hydrogen bond with anS(6) motif.

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