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3-(p-Anis-yl)sydnone.

ABSTRACT: IN THE TITLE SYDNONE COMPOUND [SYSTEMATIC NAME: 3-(4-meth-oxy-phen-yl)-1,2,3-oxadiazol-3-ium-5-olate], C(9)H(8)N(2)O(3), the essentially planar oxadiazole ring [maximum deviation = 0.005?(1)?Å] is inclined at a dihedral angle of 30.32?(8)° with respect to the benzene ring. In the crystal, adjacent mol-ecules are inter-connected by inter-molecular C-H?O hydrogen bonds into sheets lying parallel to (100). Weak inter-molecular ?-? inter-actions [centroid-centroid distance = 3.5812?(8)?Å] further stabilize the crystal packing.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3011535 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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3-(p-Anis-yl)sydnone.

Fun Hoong-Kun HK Goh Jia Hao JH Nithinchandra Kalluraya B B

Acta crystallographica. Section E, Structure reports online 20101120 Pt 12

IN THE TITLE SYDNONE COMPOUND [SYSTEMATIC NAME: 3-(4-meth-oxy-phen-yl)-1,2,3-oxadiazol-3-ium-5-olate], C(9)H(8)N(2)O(3), the essentially planar oxadiazole ring [maximum deviation = 0.005 (1) Å] is inclined at a dihedral angle of 30.32 (8)° with respect to the benzene ring. In the crystal, adjacent mol-ecules are inter-connected by inter-molecular C-H⋯O hydrogen bonds into sheets lying parallel to (100). Weak inter-molecular π-π inter-actions [centroid-centroid distance = 3.5812 (8) Å] further st ...[more]

PMID: 21589537

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3-(2-Acetamido-phen-yl)sydnone.

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3-Phenyl-4-{3-[(p-tol-yloxy)meth-yl]-7H-1,2,4-triazolo[3,4-b][1,3,4]thia-diazin-6-yl}sydnone.

Project description:In the title compound (systematic name3-phenyl-4-{3-[(p-tol-yloxy)meth-yl]-7H-1,2,4-triazolo[3,4-b][1,3,4]thia-diazin-6-yl}-1,2,3-oxadiazol-3-ium-5-olate), C(20)H(16)N(6)O(3)S, an intra-molecular C-H⋯O hydrogen bond generates an S(6) ring motif. The 3,6-dihydro-1,3,4-thia-diazine ring adopts a twist-boat conformation. The 1,2,3-oxadiazole and 1,2,4-triazole rings are inclined to each other at an inter-planar angle of 44.13 (13)°. The phenyl ring makes an inter-planar angle of 67.40 (13)° with the attached 1,2,3-oxadiazole ring. In the crystal structure, adjacent mol-ecules are inter-connected into two-mol-ecule-thick arrays parallel to (100) via C-H⋯O and C-H⋯N hydrogen bonds. A short S⋯O contact [2.9512 (18) Å] is observed.

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