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2-Methyl-4-oxo-6,7,8,9-tetrahydro-thieno[2',3':4,5]pyrimidino-[1,2-a]pyridine-3-carboxylic acid.

ABSTRACT: There are two independent mol-ecules in the asymmetric unit of the title compound, C(12)H(12)N(2)O(3)S. With the exception of the methyl-ene groups, a mean plane fitted through all non-H atoms of each mol-ecule has an r.m.s. deviation of 0.035 Å for one mol-ecule and 0.120 Å for the second. In one of the independent mol-ecules, the methyl-ene groups was refined using a disorder model with an occupancy ratio of 0.53:0.47 (14). Each molecule features an intra-molecular O-H⋯O hydrogen bond, which generates an S(7) ring.

SUBMITTER: Elmuradov BZh

PROVIDER: S-EPMC3099994 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

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2-Methyl-4-oxo-6,7,8,9-tetrahydro-thieno[2',3':4,5]pyrimidino-[1,2-a]pyridine-3-carboxylic acid.

Elmuradov Burkhon Zh BZh Bozorov Khurshed A KA Okmanov Rasul Ya RY Tashkhodjaev Bakhodir B Shakhidoyatov Khusnutdin M KM

Acta crystallographica. Section E, Structure reports online 20110309 Pt 4

There are two independent mol-ecules in the asymmetric unit of the title compound, C(12)H(12)N(2)O(3)S. With the exception of the methyl-ene groups, a mean plane fitted through all non-H atoms of each mol-ecule has an r.m.s. deviation of 0.035 Å for one mol-ecule and 0.120 Å for the second. In one of the independent mol-ecules, the methyl-ene groups was refined using a disorder model with an occupancy ratio of 0.53:0.47 (14). Each molecule features an intra-molecular O-H⋯O hydrogen bond, which g ...[more]

PMID: 21754108

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