Structure of 3-methoxycarbonyl-1-methyl-4-nitropyrazole-5-carboxylic acid monohydrate

Boyd, Maruta; Atwell, Graham; Denny, William

dc.contributor.author	Boyd, Maruta	en
dc.contributor.author	Atwell, Graham	en
dc.contributor.author	Denny, William	en
dc.date.accessioned	2012-03-21T00:24:47Z	en
dc.date.issued	1993-08-15	en
dc.identifier.citation	Acta Crystallographica Section C C49:1429-1430 15 Aug 1993	en
dc.identifier.issn	0108-2701	en
dc.identifier.uri	http://hdl.handle.net/2292/14885	en
dc.description.abstract	C7H7N3O6.H2O, M(r) = 247.16, orthorhombic, Fdd2, a = 31.535 (8), b = 14,313 (5), c = 9.446 (3) angstrom, Z = 16, V = 4263.6 angstrom3, D(x) = 1.54 g cm-3, lambda(Mo Kalpha) = 0.71069 angstrom, mu = 1.31 cm-1 F(000) = 2048, room temperature, final R = 0.0368 for 1223 observed reflections. The pyrazole ring is planar. The methoxycarbonyl, nitro and acid groups make angles of 8.1, 74.5 and 16.7-degrees, respectively, with the pyrazole ring. The water of crystallization forms strong hydrogen bonds with the acid proton of one molecule and the unsubstituted pyrazole N atom of a symmetry-related molecule.	en
dc.language	English	en
dc.publisher	International Union of Crystallography	en
dc.relation.ispartofseries	Acta Crystallographica Section C: Crystal Structure Communications	en
dc.rights	Items in ResearchSpace are protected by copyright, with all rights reserved, unless otherwise indicated. Previously published items are made available in accordance with the copyright policy of the publisher.	en
dc.rights.uri	https://researchspace.auckland.ac.nz/docs/uoa-docs/rights.htm	en
dc.subject	Science & Technology	en
dc.subject	Physical Sciences	en
dc.subject	Crystallography	en
dc.title	Structure of 3-methoxycarbonyl-1-methyl-4-nitropyrazole-5-carboxylic acid monohydrate	en
dc.type	Journal Article	en
dc.identifier.doi	10.1107/S0108270193003488	en
pubs.begin-page	1429	en
pubs.volume	C49	en
dc.rights.holder	Copyright: International Union of Crystallography	en
pubs.author-url	http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=A1993LY13300006&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=6e41486220adb198d0efde5a3b153e7d	en
pubs.end-page	1430	en
dc.rights.accessrights	http://purl.org/eprint/accessRights/RestrictedAccess	en
pubs.subtype	Article	en
pubs.elements-id	147220	en
pubs.org-id	Medical and Health Sciences	en
pubs.org-id	Medical Sciences	en
pubs.org-id	Auckland Cancer Research	en
pubs.org-id	Science	en
pubs.org-id	Science Research	en
pubs.org-id	Maurice Wilkins Centre (2010-2014)	en
pubs.record-created-at-source-date	2012-08-06	en