N-(7-Dimethoxymethyl-4-oxo-3,4-dihydropteridin-2-yl)-2,2-dimethylpropionamide monohydrate

2007 ◽  
Vol 63 (11) ◽  
pp. o4249-o4250
Author(s):  
Hoong-Kun Fun ◽  
Shyamaprosad Goswami ◽  
Annada C. Maity ◽  
Sibaprasad Maity ◽  
Suchada Chantrapromma
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Ring System ◽  
Water Molecules ◽  
Two Dimensional ◽  
Compound C ◽  
The Mean ◽  
Intramolecular Hydrogen ◽  
Ring Motif

In the title compound, C14H19N5O4·H2O, the 3,4-dihydropteridine ring system deviates sigificantly from planarity, the dihedral angle between the mean planes of the two rings being 3.93 (9)°. Intramolecular N—H...O hydrogen bonding generates an S(6) ring motif. The water molecule forms O—H...O and O—H...N intramolecular hydrogen bonds with the substituted pteridine molecule. In the crystal structure, the substituted pteridine molecules are linked by N—H...N hydrogen bonds into chains running along the c direction. These chains are further connected to the water molecules by N—H...O, O—H...O and O—H...N hydrogen bonds to form two-dimensional networks parallel to the bc plane. The crystal structure is stabilized by intra- and intermolecular N—H...O, N—H...N, O—H...O and O—H...N hydrogen bonds, together with weak C—H...O and C—H...N intra- and intermolecular interactions. C—H...π interactions are also observed.

scholarly journals Crystal structure of ethyl 2′′,3-dioxo-7′,7a'-dihydro-1′H,3H,3′H-dispiro[benzo[b]thiophene-2,6′-pyrrolo[1,2-c]thiazole-5′,3′′-indoline]-7′-carboxylate

2015 ◽  
Vol 71 (3) ◽  
pp. o148-o149
Author(s):  
M. P. Savithri ◽  
M. Suresh ◽  
R. Raghunathan ◽  
R. Raja ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Thiazole Ring ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
The Mean ◽  
Ring Motif

In the title compound, C23H20N2O4S2, the central pyrrolidine ring adopts an envelope conformation with the spiro C atom, shared with the benzothiophene ring system, as the flap. The thiazole ring has a twisted conformation on the S—C bond, where the C atom is that closest to methine C atom. The mean planes of the benzothiophene and indoline ring systems are inclined to the mean plane of the central pyrrolidine ring by 82.75 (8) and 80.03 (8)°, respectively, and to each other by 61.49 (6)°. In the crystal, molecules are linkedviapairs of N—H...O hydrogen bonds, forming inversion dimers with anR22(8) ring motif. The dimers are linkedviaC—H...O and C—H...N hydrogen bonds, forming a three-dimensional structure. The ethoxycarbonyl group is disordered over two orientations, with an occupancy ratio of 0.717 (12):0.283 (12).

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 ethyl 5′′-fluoro-2′′,3-dioxo-6′,7′,8′,8a'-tetrahydro-2′H,3H,5′H-dispiro[benzo[b]thiophene-2,1′-indolizine-3′,3′′-indoline]-2′-carboxylate

2015 ◽  
Vol 71 (3) ◽  
pp. o156-o157 ◽  
Author(s):  
R. Raja ◽  
J. Govindaraj ◽  
M. Suresh ◽  
R. Raghunathan ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Chair Conformation ◽  
Ring System ◽  
Membered Ring ◽  
Piperidine Ring ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
The Mean ◽  
Ring Motif

In the title compound, C25H23FN2O4S, the fused piperidine ring of the octahydroindolizine ring system adopts a chair conformation and the five-membered ring has a twisted conformation on the N—C(spiro) bond. The mean planes of the benzothiophene and indoline ring systems are inclined to the mean plane of the pyrrolidine ring by 83.1 (1) and 84.9 (1)°, respectively, and to each other by 29.37 (17)°. In the crystal, molecules are linkedviapairs of N—H...O hydrogen bonds, forming inversion dimers with anR22(8) ring motif. The dimers are linkedviaC—H...O hydrogen bonds, forming slabs lying parallel to (100). The packing between the slabs features a short [2.734 (2) Å] F...F contact.

scholarly journals Crystal structure of (5-chloro-2-hydroxyphenyl)(3-methylisoxazolo[5,4-b]pyridin-5-yl)methanone

2015 ◽  
Vol 71 (11) ◽  
pp. o875-o876
Author(s):  
Rajamani Raja ◽  
Nataraj Poomathi ◽  
Paramasivam T. Perumal ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Ring System ◽  
Bond Forming ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean ◽  
Ring Motif

In the title compound, C14H9ClN2O3, the fused pyridine and isoxazole rings are approximately planar, making a dihedral angle of 1.14 (16)°. The molecule is twisted with the benzene ring and the mean plane through the fused pyridine-isoxazole ring system being inclined to one another by 47.03 (13)°. There is an intramolecular O—H...O hydrogen bond forming anS(6) ring motif. In the crystal, molecules are linked by C—H...N hydrogen bonds, forming chains propagating along [001]. The chains are linked by slipped parallel π–π interactions, involving inversion-related benzene rings, forming slabs lying parallel to thebcplane {inter-centroid distance = 3.770 (2) Å].

scholarly journals Crystal structure of 3,5-dimethoxy-2-[5-(naphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol

2015 ◽  
Vol 71 (10) ◽  
pp. o708-o709
Author(s):  
Dongsoo Koh
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Naphthalene Ring ◽  
Compound C ◽  
Pyrazoline Ring ◽  
The Mean ◽  
Ring Motif

In the title compound, C21H20N2O3, the planes of the benzene ring and the naphthalene ring system are inclined to one another by 70.95°, and by 4.99 (6) and 75.93 (5)°, respectively, to the mean plane of the pyrazoline ring. The latter has an envelope conformation with the methine (CH) C atom as the flap. There is an intramolecular O—H...N hydrogen bond that forms anS(6) ring motif. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming chains along [100]. The chains are linkedviaC—H...N hydrogen bonds, forming sheets parallel to theabplane. The sheets are linked by a series of N—H...π and C—H...π interactions forming a three-dimensional structure.

scholarly journals Crystal structure of 7,7′-[(pyridin-2-yl)methylene]bis(5-chloroquinolin-8-ol)

2020 ◽  
Vol 76 (8) ◽  
pp. 1271-1274
Author(s):  
Yukiyasu Kashiwagi ◽  
Koji Kubono ◽  
Toshiyuki Tamai
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Ring System ◽  
The Other ◽  
Two Dimensional ◽  
Quinoline Ring ◽  
Compound C ◽  
Dimensional Network ◽  
Ring Motif

In the title compound, C24H15Cl2N3O2, one quinoline ring system is essentially planar and the other is slightly bent. An intramolecular O—H...N hydrogen bond involving the hydroxy group and a pyridine N atom forms an S(5) ring motif. In the crystal, two molecules are associated into an inversion dimer with two R 2 2(7) ring motifs through intermolecular O—H...N and O—H...O hydrogen bonds. The dimers are further linked by an intermolecular C—H...O hydrogen bond and four C—H...π interactions, forming a two-dimensional network parallel to (001).

scholarly journals Crystal structure of (Z)-3-allyl-5-(3-bromobenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

2015 ◽  
Vol 71 (12) ◽  
pp. o1010-o1011
Author(s):  
Rahhal El Ajlaoui ◽  
El Mostapha Rakib ◽  
Issam Forsal ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Ring Systems ◽  
Compound C ◽  
The Mean ◽  
Ring Motif

In the title compound, C13H10BrNOS2, the rhodanine (systematic name: 2-sulfanylidene-1,3-thiazolidin-4-one) and the 3-bromobenzylidene ring systems are inclined slightly, forming a dihedral angle of 5.86 (12)°. The rhodanine moiety is linked to an allyl group at the N atom and to the 3-bromobenzylidene ring system. The allyl group, C=C—C, is nearly perpendicular to the mean plane through the rhodanine ring, maling a dihedral angle of 87.2 (5)°. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds, forming inversion dimers with anR22(10) ring motif.

scholarly journals Methyl 4′-(3-bromophenyl)-3′-(2,5-dimethylbenzyl)-1′-methyl-2-oxospiro[indoline-3,2′-pyrrolidine]-3′-carboxylate

2014 ◽  
Vol 70 (3) ◽  
pp. o299-o300 ◽  
Author(s):  
S. Karthikeyan ◽  
K. Sethusankar ◽  
Anthonisamy Devaraj ◽  
Manickam Bakthadoss
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Ring System ◽  
Two Dimensional ◽  
Indole Ring ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
The Mean ◽  
Ring Motif

In the title compound, C29H29BrN2O3, the indole ring system is essentially planar (r.m.s. deviation = 0.079 Å) and makes a dihedral angle of 85.23 (10)° with the mean plane of the 4-methylpyrrolidine ring. This ring adopts an envelope conformation with the N atom at the flap. The pyrrolidine ring of the indole ring system adopts a twisted conformation on the C—C(=O) bond. The molecular structure is stabilized by an intramolecular C—H...O hydrogen bond, which generates anS(6) ring motif. In the crystal, molecules are linkedviapairs of C—H...O hydrogen bonds, forming inversion dimers with anR22(14) ring motif. These dimers are further linked by N—H...O and C—H...O hydrogen bonds, forming two-dimensional networks lying parallel to (10-1).

scholarly journals Crystal structure of methyl (E)-2-(1-methyl-2-oxoindolin-3-ylidene)acetate

2015 ◽  
Vol 71 (3) ◽  
pp. o188-o189 ◽  
Author(s):  
M. P. Savithri ◽  
P. S. Yuvaraj ◽  
B. S. R. Reddy ◽  
R. Raja ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Side Chain ◽  
Indole Ring ◽  
Compound C ◽  
The Mean ◽  
Ring Motif

The title compound, C12H11NO3, is essentially planar, with the mean plane of the acetate side chain [–C—C(=O)—O—C] being inclined to the mean plane of the indole ring system by 12.49 (7)°. The five- and six-membered rings of the indole group are almost coplanar, making a dihedral angle of 1.76 (8)°. The conformation about the C=C bond isEand there is an intramolecular C—H...O hydrogen bond present. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds forming inversion dimers, with anR22(16) ring motif. The dimers are linked by a second pair of C—H...O hydrogen bonds, enclosingR22(16) ring motifs, forming ribbons lying parallel to (-114). The ribbons are linkedviaC—H...π interactions, forming a three-dimensional structure.

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).

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