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l-2-Nitrimino-1,3-diazepane-4-carboxylic acid.

Karapetyan HA - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: The cyclic form of l-nitro-arginine, C(6)H(10)N(4)O(4), crystallizes with two independent mol-ecules in the asymmetric unit.According to the geometrical parameters, similar in both mol-ecules, the structure corresponds to that of l-2-nitrimino-1,3-diazepane-4-carboxylic acid; there are, however, conformational differences between the independent molecules, one of them being close to a twisted chair while the other might be described as a rather flattened boat.All six active H atoms in the two molecules are involved in hydrogen bonds, two of which are intra-molecular and four inter-molecular, forming an infinite chain of mol-ecules along the b axis.

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Affiliation: Molecular Structure Research Center, National Academy of Sciences RA, Azatutyan ave. 26, 375014 Yerevan, Republic of Armenia.

ABSTRACT
The cyclic form of l-nitro-arginine, C(6)H(10)N(4)O(4), crystallizes with two independent mol-ecules in the asymmetric unit. According to the geometrical parameters, similar in both mol-ecules, the structure corresponds to that of l-2-nitrimino-1,3-diazepane-4-carboxylic acid; there are, however, conformational differences between the independent molecules, one of them being close to a twisted chair while the other might be described as a rather flattened boat. All six active H atoms in the two molecules are involved in hydrogen bonds, two of which are intra-molecular and four inter-molecular, forming an infinite chain of mol-ecules along the b axis.

No MeSH data available.


A perspective view of the crystallographically independent molecules paired via intermolecular H-bonds showing atomic numbering and displacement ellipsoids at the 50% probability.
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Fap1: A perspective view of the crystallographically independent molecules paired via intermolecular H-bonds showing atomic numbering and displacement ellipsoids at the 50% probability.


l-2-Nitrimino-1,3-diazepane-4-carboxylic acid.

Karapetyan HA - Acta Crystallogr Sect E Struct Rep Online (2008)

A perspective view of the crystallographically independent molecules paired via intermolecular H-bonds showing atomic numbering and displacement ellipsoids at the 50% probability.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2961324&req=5

Fap1: A perspective view of the crystallographically independent molecules paired via intermolecular H-bonds showing atomic numbering and displacement ellipsoids at the 50% probability.
Bottom Line: The cyclic form of l-nitro-arginine, C(6)H(10)N(4)O(4), crystallizes with two independent mol-ecules in the asymmetric unit.According to the geometrical parameters, similar in both mol-ecules, the structure corresponds to that of l-2-nitrimino-1,3-diazepane-4-carboxylic acid; there are, however, conformational differences between the independent molecules, one of them being close to a twisted chair while the other might be described as a rather flattened boat.All six active H atoms in the two molecules are involved in hydrogen bonds, two of which are intra-molecular and four inter-molecular, forming an infinite chain of mol-ecules along the b axis.

View Article: PubMed Central - HTML - PubMed

Affiliation: Molecular Structure Research Center, National Academy of Sciences RA, Azatutyan ave. 26, 375014 Yerevan, Republic of Armenia.

ABSTRACT
The cyclic form of l-nitro-arginine, C(6)H(10)N(4)O(4), crystallizes with two independent mol-ecules in the asymmetric unit. According to the geometrical parameters, similar in both mol-ecules, the structure corresponds to that of l-2-nitrimino-1,3-diazepane-4-carboxylic acid; there are, however, conformational differences between the independent molecules, one of them being close to a twisted chair while the other might be described as a rather flattened boat. All six active H atoms in the two molecules are involved in hydrogen bonds, two of which are intra-molecular and four inter-molecular, forming an infinite chain of mol-ecules along the b axis.

No MeSH data available.